SCHEMBL11088941

SCHEMBL11088941

C=CC(CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 1/20 0.52
ATM Q13315 1/20 0.51
HPGD P15428 3/20 0.46
MAPK1 P28482 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CES1 P23141 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL27685597 0.89 KMT2A (0.51) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL27685528 0.89 NPC1 (0.51) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL27685565 0.89 TDP1 (0.45) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL28769307 0.85 L3MBTL1 (0.68) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL27704468 0.85 L3MBTL1 (0.59) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL27704466 0.85 PDPK1 (0.56) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL436598 0.84 TSHR (0.53) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL31390336 0.83 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL14071758 0.83 FFAR1 (0.52) MAPTLMNAMAPK1CYP2C19
SCHEMBL3270768 0.83 FFAR1 (0.52) MAPTLMNAMAPK1CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928827-B1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS INC (US) 2012-08-22 EP disclosed
CN-100560555-C A kind of synthetic 1, the method for 3-two replacement-4-alkene-1-cyclo-pentanone compounds SHANGHAI INST ORGANIC CHEM (CN) 2009-11-18 CN disclosed
CN-101085726-A Method for synthesizing 1,3-disubstitute-4-penten-1-one SHANGHAI INST ORGANIC CHEM (CN) 2007-12-12 CN disclosed
WO-2007038684-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2007-04-05 WO disclosed
US-4446467-A DIAZOTYPE PROCESS; PHOTOSENSITIVITY; PRINTING TICKET DAI NIPPON PRINTING CO., LTD. (JP) 1984-05-01 US disclosed
US-4421839-A DIAZOTYPE PROCESS DAI NIPPON PRINTING CO., LTD. (JP) 1983-12-20 US disclosed
EP-0023673-A2 Device for performing a heat-sensitive recording, heat-sensitive recording sheet, and a method for performing a heat-sensitive recording KABUSHIKI KAISHA TOSHIBA (JP) 1981-02-11 EP disclosed