SCHEMBL7040366

SCHEMBL7040366

CCCCOC(COCOCC(OCC)OCCCC)OCC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
DNM1 Q05193 1/20 0.31
LPAR1 Q92633 4/20 0.31
LPAR3 Q9UBY5 4/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL28131148 0.89 TSHR (0.33) TSHRDNM1LPAR1LPAR3ADRB2
SCHEMBL8143953 0.85 TSHR (0.41) TSHRLPAR1LPAR3ADRB2ADRB1
SCHEMBL28534846 0.84 TSHR (0.39) TSHRDNM1LPAR1LPAR3ADRB2
SCHEMBL11760550 0.84 THRB (0.40)
SCHEMBL615986 0.84 TSHR (0.30) TSHR
SCHEMBL8616123 0.82 TSHR (0.52) TSHRLPAR1LPAR3LPAR2
SCHEMBL1984877 0.82 CYP3A4 (0.40) DNM1LPAR1LPAR3ADRB2ADRB1
SCHEMBL9502490 0.82 TSHR (0.42) TSHRDNM1LPAR1LPAR3ADRB2
SCHEMBL28458040 0.82 USP2 (0.48) DNM1LPAR1LPAR3LPAR2
SCHEMBL28357447 0.81 TSHR (0.43) TSHRLPAR1LPAR3LPAR2

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-0470040-B1 Process for the preparation of a rubber having polymer bound functionality GOODYEAR TIRE & RUBBER (US) 1996-09-11 EP claimed
EP-0470042-B1 Process for the preparation of a masterbatch rubber having polymer bound functionality GOODYEAR TIRE & RUBBER (US) 1996-05-08 EP claimed
WO-2003006255-A1 PRINTING FACE FORMULARY REEVES BROTHERS, INC. (US) 2003-01-23 WO disclosed