SCHEMBL7437982

SCHEMBL7437982

CC(=O)SCc1ccccc1CCC(=O)Nc1ccc(C)c(C(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7425854 0.84 POLB (0.48) POLBTDP1NPC1RAB9AALDH1A1
SCHEMBL7435457 0.83 SELP (0.56) POLBTDP1NPC1RAB9AKDM4E
SCHEMBL7430649 0.82 SELL (0.56) NPC1RAB9AALDH1A1LMNASELP
SCHEMBL7429346 0.82 SELL (0.45) POLBNPC1RAB9AKDM4EALDH1A1
SCHEMBL7439282 0.80 KMT2A (0.53) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL7433330 0.79 SELP (0.43) POLBNPC1RAB9AKDM4EALDH1A1
SCHEMBL7431963 0.77 KDM4E (0.54) POLBNPC1RAB9AKDM4EALDH1A1
SCHEMBL7433961 0.76 ABCC1 (0.47) NPC1RAB9AKDM4EALDH1A1AKR1C3
SCHEMBL7442252 0.76 SELP (0.47) KDM4EHDAC1AKR1C3AKR1C2LMNA
SCHEMBL7435487 0.75 HDAC3 (0.49) POLBTDP1ALDH1A1HDAC3HDAC4

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
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed