SCHEMBL8629047

SCHEMBL8629047

C[C]CC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CES1 P23141 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALOX15 P16050 1/20 0.56
ALDH1A1 P00352 4/20 0.52
GSK3B P49841 2/20 0.52
PTPN1 P18031 2/20 0.52
HIF1A Q16665 2/20 0.52
TRPA1 O75762 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28684444 0.83 L3MBTL1 (0.57) KMT2AMAPTMAPK1MEN1TDP1
SCHEMBL571114 0.79 TDP1 (0.58) KMT2AMAPTMAPK1MEN1TDP1
Benzene SCHEMBL28690163 0.79 MAPK1 (0.58) KMT2AMAPTMAPK1MEN1TDP1
SCHEMBL7085528 0.79 MAPK1 (0.58) KMT2AMAPTMAPK1MEN1TDP1
SCHEMBL28587168 0.78 L3MBTL1 (0.49) KMT2AMAPTMAPK1MEN1TDP1
SCHEMBL29092014 0.77 KMT2A (0.56) KMT2AMAPTMAPK1MEN1TDP1
SCHEMBL22313390 0.77 CES1 (0.56) KMT2AMAPTMAPK1MEN1TDP1
SCHEMBL136826 0.77 CES1 (0.56) KMT2AMAPTMAPK1MEN1TDP1
SCHEMBL4621332 0.77 MAPT (0.56) KMT2AMAPTMAPK1MEN1TDP1
SCHEMBL6752860 0.76 CES1 (0.54) KMT2AMAPTMAPK1MEN1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4308380-A 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-29 US claimed
EP-0000745-B1 SALT OF AN OPTICALLY ACTIVE ISOMER OF PHENYLGLYCINE AND AN OPTICALLY ACTIVE ISOMER OF 2-AMINO BUTANOL AND PROCESS FOR ITS PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-15 EP claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
EP-0000745-A1 Salt of an optically active isomer of phenylglycine and an optically active isomer of 2-amino butanol and process for its preparation HOECHST AKTIENGESELLSCHAFT (DE) 1979-02-21 EP claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-5776948-A BACTERICIDE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1998-07-07 US disclosed
US-5527900-A VIRICIDES; ANTI-HTLV ACTIVITY STITCHING REGA VZW (BE) 1996-06-18 US disclosed
EP-0530407-B1 Substituted, nucleoside derivatives, methods for their preparation and pharmaceutical compositions containing them STICHTING REGA V Z W (BE) 1996-06-05 EP disclosed
EP-0664288-A1 FLUOROQUINOLINE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-07-26 EP disclosed
EP-0530407-A1 Substituted, nucleoside derivatives, methods for their preparation and pharmaceutical compositions containing them Stichting REGA V.Z.W. (BE) 1993-03-10 EP disclosed
US-5144027-A Cephalosporins, process for producing the same, intermediates thereof and process for producing the intermediates TOYAMA CHEMICAL CO., LTD. (JP) 1992-09-01 US disclosed
US-4931555-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-05 US disclosed
US-4091210-A Preparation of 3-alkyl-3-cephem-4-carboxylic acid compounds from dithio isopropenyl azetidine carboxylic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-05-23 US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 US disclosed
US-4036847-A ANTIBACTERIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-07-19 US disclosed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US disclosed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US disclosed
US-3984397-A CYCLIZATION FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-10-05 US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 US disclosed