SCHEMBL8545180

SCHEMBL8545180

CCOC(=O)Cc1sc(SCc2cnccc2C(=O)OCC)nc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CDC7 O00311 6/20 0.38
DBF4 Q9UBU7 6/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.34
SHMT2 P34897 1/20 0.34
NUDT1 P36639 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
SCHEMBL8547337 0.92 ALDH1A1 (0.43) ALDH1A1HSD17B10CDC7DBF4TRPM8
SCHEMBL8549517 0.86 ALDH1A1 (0.39) ALDH1A1HSD17B10CDC7DBF4TRPM8
SCHEMBL8545437 0.84 ALDH1A1 (0.38) ALDH1A1HSD17B10CDC7DBF4LMNA
SCHEMBL8546642 0.83 TRPM8 (0.40) ALDH1A1HSD17B10TRPM8LMNAMAPT
SCHEMBL8546335 0.80 HSD17B10 (0.44) ALDH1A1HSD17B10TRPM8LMNAKDM4E
SCHEMBL8548073 0.80 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL8545401 0.75 TRPM8 (0.40) ALDH1A1HSD17B10CDC7DBF4TRPM8
SCHEMBL8549489 0.74 SMN1; SMN2 (0.35) ALDH1A1HSD17B10CDC7DBF4TRPM8
SCHEMBL8544938 0.74 ALDH1A1 (0.46) ALDH1A1HSD17B10TRPM8LMNAKDM4E
SCHEMBL8546689 0.73 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EMAPTHPGD

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-0714393-B1 THIAZOLES AS ANTIVIRAL PFIZER (US) 1998-09-23 EP disclosed
US-5789408-A Antiviral thiazoles PFIZER INC. (US) 1998-08-04 US disclosed
WO-1995005378-A1 ANTIVIRAL THIAZOLES PFIZER INC. (US) 1995-02-23 WO disclosed