SCHEMBL7767119

SCHEMBL7767119

C=CCSCCC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
TSHR P16473 3/20 0.40
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38
TRPA1 O75762 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7774740 0.89 CYP1A2 (0.47) CYP1A2TSHRGAAMGAMSI
SCHEMBL10454012 0.83 TSHR (0.49) TSHRGAAALDH1A1TDP1KDM4E
SCHEMBL7771290 0.83 TSHR (0.47) TSHRALDH1A1HSD17B10MAPTHPGD
SCHEMBL15948648 0.82 CYP1A2 (0.48) CYP1A2TSHRGAAMGAMSI
SCHEMBL111821 0.82 GAA (0.52) CYP1A2TSHRGAAMGAMSI
SCHEMBL6030524 0.81 MGAM (0.43) CYP1A2GAAMGAMSIMGAM2
SCHEMBL7770907 0.81 LMNA (0.48) TSHRALDH1A1LMNAHTTTDP1
SCHEMBL11046918 0.80 SMN1; SMN2 (0.35) TSHRALDH1A1CYP3A4ALOX5SMN1; SMN2
SCHEMBL11712079 0.79 CYP1A2 (0.45) CYP1A2TSHRGAAMGAMSI
SCHEMBL10973191 0.79 CYP1A2 (0.45) CYP1A2TSHRGAAMGAMSI

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 4 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
US-4226991-A POLYHYDRIC ALCOHOL, A-OLEFIN, MERCAPTOPROPIONIC ACID ARGUS CHEMICAL CORP. (US) 1980-10-07 US disclosed