SCHEMBL7954775

SCHEMBL7954775

CCCCC[CH]C(C)(C)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
FAAH O00519 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
THRB P10828 1/20 0.35
DNM1 Q05193 3/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LPAR3 Q9UBY5 1/20 0.32
GGPS1 O95749 1/20 0.32

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
SCHEMBL11250821 0.97 TSHR (0.44) TSHRFAAHTRPV1THRBDNM1
SCHEMBL17582709 0.97 TSHR (0.44) TSHRFAAHTRPV1THRBDNM1
SCHEMBL7329421 0.97 TSHR (0.44) TSHRFAAHTRPV1THRBDNM1
SCHEMBL5357146 0.92 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL15921186 0.80
SCHEMBL11146562 0.80 TSHR (0.42) TSHRFAAHTRPV1THRBDNM1
SCHEMBL9785660 0.80 TSHR (0.42) TSHRFAAHTRPV1THRBDNM1
SCHEMBL8976924 0.80 TSHR (0.42) TSHRFAAHTRPV1THRBDNM1
SCHEMBL7147029 0.80 TSHR (0.42) TSHRFAAHTRPV1THRBDNM1
SCHEMBL16909645 0.80 TSHR (0.42) TSHRFAAHTRPV1THRBDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6261359-B1 SOLUBLE CHROMOPHORES CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-17 US disclosed
US-4587068-A SOLVENT-FREE MATERIALS RESEARCH CORPORATION (US) 1986-05-06 US disclosed