SCHEMBL27832368

SCHEMBL27832368

Cc1ccc2cc(C(C)C)c(O)cc2c1CCC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 8/20 0.39
▸ THRB P10828 8/20 0.39
▸ TRPV1 Q8NER1 3/20 0.39
▸ PKM P14618 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ CYP2D6 P10635 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SLC6A2 P23975 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 0.88 THRA (0.51) THRATHRBTRPV1PKMCYP1A2
SCHEMBL28299901 0.88 ALDH1A1 (0.35) THRATHRBPKMCYP1A2MAPT
SCHEMBL18290236 0.83 ALDH1A1 (0.35) THRATHRBPKMCYP1A2NPSR1
SCHEMBL18290221 0.80 THRA (0.38) THRATHRBTRPV1PKMCYP1A2
SCHEMBL18290244 0.75 TRPV1 (0.33) THRATHRBTRPV1PKMCYP1A2
SCHEMBL18290202 0.74 LMNA (0.33) THRATHRBTRPV1CYP1A2MAPT
SCHEMBL18290231 0.69 CASR (0.32) THRATHRBTRPV1CYP1A2MAPT
SCHEMBL21013101 0.67 IAPP (0.46) THRATHRBCYP1A2MAPTCYP3A4
SCHEMBL2964707 0.67 CYP1A2 (0.48) THRBTRPV1PKMCYP1A2MAPT
SCHEMBL10022399 0.63 GRIN2D (0.49) THRBTRPV1PKMCYP1A2MAPT

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
CN-102295545-A Method for biosynthesizing abietane diterpenoid compounds by using cephalotaxus fortune culture cells — 2011-12-28 — — CN claimed
CN-102295545-B Method for biosynthesizing abietane diterpenoid compounds by using cephalotaxus fortune culture cells DALIAN CHEMICAL PHYSICS INST 2013-12-04 — — CN disclosed
CN-102295545-A Method for biosynthesizing abietane diterpenoid compounds by using cephalotaxus fortune culture cells — 2011-12-28 — — CN disclosed
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