SCHEMBL7770939

SCHEMBL7770939

C=COC(=O)c1ccsc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
DAO P14920 1/20 0.50
HDAC1 Q13547 1/20 0.46
HPGD P15428 1/20 0.40
GPR52 Q9Y2T5 1/20 0.36
HSD11B1 P28845 1/20 0.36
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ELANE P08246 4/20 0.35
PLAU P00749 1/20 0.35
HTR1A P08908 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL6973487 0.78
SCHEMBL7648686 0.77 CES2 (0.62) CES2CES1LCKFYNDAO
SCHEMBL7772515 0.77 CES2 (0.42) CES2CES1LCKFYNDAO
SCHEMBL295796 0.77 ALDH1A1 (0.40) CA1CA2
SCHEMBL27343064 0.77 CYP3A4 (0.51) CES2CES1LCKFYNDAO
SCHEMBL28944014 0.74 ALDH1A1 (0.39) CA1CA2
SCHEMBL6050171 0.74
SCHEMBL236021 0.74
SCHEMBL28748884 0.74
SCHEMBL2992142 0.73 CES2 (0.52) CES2CES1LCKFYNDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711813-B1 Antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 2001-07-25 EP disclosed
US-5773508-A BIODEGRADABLE POLYMER OF ADDITION COPOLYMERS FOR PROTECTIVE COATINGS HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-06-30 US disclosed
EP-0711813-A2 Coating varnish composition and antifouling coating composition Hitachi Chemical Co., Ltd. (JP) 1996-05-15 EP disclosed