SCHEMBL7772041

SCHEMBL7772041

COC(=O)Cn1c(C)cc(Oc2ccccc2)c(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.47
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ELANE P08246 1/20 0.41
MAOA P21397 1/20 0.41
KDM4E B2RXH2 2/20 0.40
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
RCE1 Q9Y256 1/20 0.39
LMNA P02545 1/20 0.38
MGLL Q99685 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7771913 0.92 CASP1 (0.49) KAT2BCASP1SMN1; SMN2NPC1RAB9A
SCHEMBL7767872 0.81 KAT2B (0.46) KAT2BCASP1SMN1; SMN2NPC1RAB9A
SCHEMBL7773573 0.79 KAT2B (0.44) KAT2BCASP1SMN1; SMN2NPC1RAB9A
SCHEMBL27501507 0.78 ELANE (0.62) KAT2BCASP1SMN1; SMN2NPC1RAB9A
SCHEMBL7773577 0.78 KAT2B (0.47) KAT2BCASP1SMN1; SMN2NPC1RAB9A
SCHEMBL7772048 0.78 F2 (0.43) KAT2BCASP1SMN1; SMN2NPC1RAB9A
SCHEMBL7775662 0.78 KAT2B (0.43) KAT2BCASP1SMN1; SMN2NPC1RAB9A
SCHEMBL7767885 0.77 KDM4E (0.48) SMN1; SMN2NPC1RAB9AKDM4EF2
SCHEMBL7380302 0.75 NPC1 (0.48) KAT2BCASP1SMN1; SMN2NPC1RAB9A
SCHEMBL7773563 0.74 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EALDH1A1MAPK1LMNA

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