SCHEMBL18290221

SCHEMBL18290221

Cc1ccc2cc(C(C)C)c(O)cc2c1CCCC(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 10/20 0.38
▸ THRB P10828 10/20 0.38
▸ TRPV1 Q8NER1 3/20 0.38
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYSLTR2 Q9NS75 1/20 0.34
▸ CYSLTR1 Q9Y271 1/20 0.34
▸ LTB4R Q15722 1/20 0.33

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
SCHEMBL18290201 0.84 THRA (0.51) THRATHRBTRPV1PKMMAPT
SCHEMBL27832368 0.80 THRA (0.39) THRATHRBTRPV1PKMMAPT
SCHEMBL18290244 0.78 TRPV1 (0.33) THRATHRBTRPV1PKMMAPT
SCHEMBL18290202 0.75 LMNA (0.33) THRATHRBTRPV1MAPTNPSR1
SCHEMBL18290231 0.72 CASR (0.32) THRATHRBTRPV1MAPTNPSR1
SCHEMBL28299901 0.68 ALDH1A1 (0.35) THRATHRBPKMMAPTNPSR1
SCHEMBL2964707 0.65 CYP1A2 (0.48) THRBTRPV1PKMMAPTNPSR1
SCHEMBL18290236 0.64 ALDH1A1 (0.35) THRATHRBPKMNPSR1CYP1A2
SCHEMBL4420957 0.64 TYR (0.57) MAPTCYP3A4MEN1KMT2A
SCHEMBL9163810 0.63 BLM (0.41) CYP1A2LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016192631-A1 ABIETANE-TYPE DITERPENE COMPOUND HAVING LIPID-LOWERING ACTIVITY, METHOD FOR PREPARING SAME, AND USE OF SAME 中国科学院上海药物研究所 2016-12-08 — — WO disclosed
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