SCHEMBL7775656

SCHEMBL7775656

COC(=O)Cn1c(C)cc(Sc2ccccc2)c(NC(=O)OCCc2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
KAT2B Q92831 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
RCE1 Q9Y256 1/20 0.35
ALOX5 P09917 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ROCK2 O75116 1/20 0.34

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
SCHEMBL7767872 0.90 KAT2B (0.46) MGLLSMN1; SMN2KDM4EKAT2BMAPT
SCHEMBL7772069 0.89 KDM4E (0.45) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL7772066 0.84 SMN1; SMN2 (0.44) MGLLSMN1; SMN2KDM4EKAT2BNPC1
SCHEMBL7775651 0.81 LPAR1 (0.40) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL7773564 0.76 KDM4E (0.47) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL7772059 0.73 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTALDH1A1TSHR
SCHEMBL7772041 0.72 KAT2B (0.47) MGLLSMN1; SMN2KDM4EKAT2BNPC1
SCHEMBL8645287 0.70 ELANE (0.52) MGLLSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7772048 0.70 F2 (0.43) SMN1; SMN2KDM4EKAT2BNPC1RAB9A
SCHEMBL7773577 0.70 KAT2B (0.47) SMN1; SMN2KDM4EKAT2BNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6252082-B1 CARDIOVASCUALR DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-26 US disclosed