SCHEMBL6965351

SCHEMBL6965351

CC(C(=O)NC1CCCCC1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
EPHX1 P07099 4/20 0.53
POLB P06746 3/20 0.48
TSHR P16473 2/20 0.45
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 1/20 0.44
CNR1 P21554 3/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL9849527 0.76 ALDH1A1 (0.44) POLBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9618669 0.76 MAPT (0.44) EPHX2POLBTSHRKMT2ASMN1; SMN2
SCHEMBL9849537 0.76 KMT2A (0.46) EPHX2POLBKMT2AMEN1ALDH1A1
SCHEMBL7888147 0.72 GAA (0.65) EPHX2KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL10089305 0.70 EPHX1 (1.00) EPHX1TSHRKMT2ASMN1; SMN2KDM4E
SCHEMBL10666079 0.69 CA1 (0.53) KMT2AMEN1
SCHEMBL3954720 0.69 NPC1 (0.65) EPHX1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL3456146 0.69 NPC1 (0.65) EPHX1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL30073645 0.69 NPC1 (0.65) EPHX1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL3245449 0.69 CA1 (0.57) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340751-B1 REACTION OF IMIDAZOLONE WITH AMIDE AND MAGNESIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-22 US claimed
EP-0974582-B1 Process for the preparation of 4-substituted azetidinone derivatives TAKASAGO PERFUMERY CO LTD (JP) 2003-02-12 EP disclosed
US-6340751-B1 REACTION OF IMIDAZOLONE WITH AMIDE AND MAGNESIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-22 US disclosed
EP-0974582-A1 Process for the preparation of 4-substituted azetidinone derivatives Takasago International Corporation (JP) 2000-01-26 EP disclosed