SCHEMBL7770945

SCHEMBL7770945

C=CSC(CC)C(=O)OCCCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HCAR2 Q8TDS4 3/20 0.40
NAAA Q02083 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL7770932 0.83 TSHR (0.47) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL7772488 0.82 ALDH1A1 (0.38) TSHRHPGDALDH1A1HCAR2TDP1
SCHEMBL11514153 0.80 ATM (0.48) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL9359911 0.73 NAAA (0.52) TSHRALDH1A1HCAR2NAAANPSR1
SCHEMBL22772240 0.73 NAAA (0.52) TSHRALDH1A1HCAR2NAAANPSR1
SCHEMBL22772269 0.73 NAAA (0.52) TSHRALDH1A1HCAR2NAAANPSR1
SCHEMBL22772275 0.73 NAAA (0.52) TSHRALDH1A1HCAR2NAAANPSR1
SCHEMBL22772239 0.73 NAAA (0.52) TSHRALDH1A1HCAR2NAAANPSR1
SCHEMBL9359368 0.73 NAAA (0.52) TSHRALDH1A1HCAR2NAAANPSR1
SCHEMBL19812462 0.73 NAAA (0.52) TSHRALDH1A1HCAR2NAAANPSR1

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