SCHEMBL11239482

SCHEMBL11239482

C=C(C)C(=O)OC(CCCCC)OCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
SMPD1 P17405 3/20 0.40
CES2 O00748 1/20 0.39
FAAH O00519 1/20 0.38
PLA2G2C Q5R387 3/20 0.37
GPR84 Q9NQS5 3/20 0.36
NAAA Q02083 1/20 0.36
FFAR1 O14842 1/20 0.36
ZDHHC7 Q9NXF8 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
SCHEMBL17100040 1.00 TSHR (0.56) TSHRSMPD1CES2FAAHPLA2G2C
SCHEMBL28326711 0.94 TSHR (0.56) TSHRCES2FAAHPLA2G2CNAAA
SCHEMBL28328056 0.92 TSHR (0.53) TSHRCES2FAAHPLA2G2CNAAA
SCHEMBL28204137 0.89 TSHR (0.57) TSHRCES2PLA2G2CNAAA
SCHEMBL11232936 0.89 TSHR (0.57) TSHRCES2PLA2G2CNAAA
SCHEMBL10772767 0.89 TSHR (0.57) TSHRCES2PLA2G2CNAAA
SCHEMBL6986547 0.89 TSHR (0.55) TSHRSMPD1FAAHGPR84FFAR1
SCHEMBL22572596 0.89 TSHR (0.55) TSHRSMPD1FAAHGPR84FFAR1
SCHEMBL22572582 0.89 TSHR (0.55) TSHRSMPD1FAAHGPR84FFAR1
SCHEMBL22572612 0.89 TSHR (0.55) TSHRSMPD1FAAHGPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4357435-A Novel polymers of alkyl methacrylates ROHM AND HAAS COMPANY (US) 1982-11-02 US disclosed
US-4336345-A Composition comprising condensation cross-linkable novel methacrylate polymers ROHM AND HAAS COMPANY (US) 1982-06-22 US disclosed
US-4226753-A Novel methacrylic polymers having condensation-crosslinkable functionality ROHM AND HAAS COMPANY (US) 1980-10-07 US disclosed
US-4103093-A CHAIN REGULATING ALCOHOL, ALKOXIDE CATALYST ROHM AND HAAS COMPANY (US) 1978-07-25 US disclosed
US-4056559-A ANIONIC POLYMERIZATION ROHM AND HAAS COMPANY (US) 1977-11-01 US disclosed