SCHEMBL7814716

SCHEMBL7814716

CCCCCOCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CETP P11597 3/20 0.45
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
APAF1 O14727 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL25613602 0.98 L3MBTL1 (0.50) TSHRL3MBTL1TDP1CETPLTA4H
SCHEMBL941253 0.90 TSHR (0.56) TSHRL3MBTL1TDP1CETPLTA4H
SCHEMBL11995970 0.89 L3MBTL1 (0.58) TSHRL3MBTL1TDP1CETPLTA4H
SCHEMBL21081916 0.89 L3MBTL1 (0.58) TSHRL3MBTL1TDP1CETPLTA4H
SCHEMBL7641859 0.89 L3MBTL1 (0.58) TSHRL3MBTL1TDP1CETPLTA4H
SCHEMBL7120703 0.89 L3MBTL1 (0.58) TSHRL3MBTL1TDP1CETPLTA4H
SCHEMBL6685708 0.89 L3MBTL1 (0.58) TSHRL3MBTL1TDP1CETPLTA4H
SCHEMBL2886385 0.89 L3MBTL1 (0.58) TSHRL3MBTL1TDP1CETPLTA4H
SCHEMBL14526009 0.89 L3MBTL1 (0.58) TSHRL3MBTL1TDP1CETPLTA4H
SCHEMBL16057438 0.89 L3MBTL1 (0.58) TSHRL3MBTL1TDP1CETPLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124810-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP disclosed
WO-2000026202-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 WO disclosed