SCHEMBL8772233

SCHEMBL8772233

C=CCCCCCCCCC(C)OC(C)CCCCCCCCC=C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 4/20 0.41
USP2 O75604 4/20 0.41
MAPT P10636 4/20 0.41
CYP3A4 P08684 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.39
ABCC4 O15439 1/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
RECQL P46063 1/20 0.35
TRPA1 O75762 1/20 0.33
CYP2C9 P11712 1/20 0.31

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
SCHEMBL9567291 1.00 TSHR (0.46) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL3112619 0.84 TSHR (0.44) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL3120570 0.82 TSHR (0.41) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL3124658 0.81 TSHR (0.46) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL892063 0.80 TSHR (0.36) TSHRALDH1A1
SCHEMBL3039671 0.79 ALDH1A1 (0.41) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL7046566 0.78 TSHR (0.38) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL2936701 0.78 TSHR (0.52) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL104256 0.78 TSHR (0.52) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL399787 0.78 TSHR (0.52) TSHRALDH1A1USP2MAPTCYP3A4

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-0463689-B1 Preparation of polymers of carbon monoxide with olefinically unsaturated compounds SHELL INT RESEARCH (NL) 1997-10-15 EP disclosed
EP-0272727-B1 NOVEL POLYMERS OF CARBON MONOXIDE AND ALPHA-OLEFINICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-10-28 EP disclosed
EP-0463689-A2 Preparation of polymers of carbon monoxide with olefinically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-01-02 EP disclosed
EP-0272727-A2 Novel polymers of carbon monoxide and alpha-olefinically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-29 EP disclosed