SCHEMBL10588709

SCHEMBL10588709

CC(C)c1ccccc1O.CCCCCc1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.58
▸ GABRB2 P47870 1/20 0.58
▸ TSHR P16473 2/20 0.49
▸ BID P55957 3/20 0.48
▸ MCL1 Q07820 3/20 0.48
▸ BCL2L1 Q07817 2/20 0.48
▸ BAK1 Q16611 2/20 0.48
▸ KAT8 Q9H7Z6 2/20 0.48
▸ PPARG P37231 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ EP300 Q09472 1/20 0.48
▸ KAT2A Q92830 1/20 0.48
▸ KAT2B Q92831 1/20 0.48
▸ KAT5 Q92993 1/20 0.48
▸ SAE1 Q9UBE0 1/20 0.48
▸ LIPG Q9Y5X9 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ALOX5 P09917 1/20 0.46

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
SCHEMBL4961563 0.88 BID (0.50) GABRA1GABRB2TSHRBIDMCL1
SCHEMBL8855733 0.87 BID (0.49) GABRA1GABRB2TSHRBIDMCL1
SCHEMBL30361248 0.86 LIPG (0.60) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL30969 0.86 LIPG (0.60) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL11035914 0.85 TSHR (0.51) TSHRBIDMCL1BCL2L1BAK1
Isopropyl Alcohol SCHEMBL8986290 0.85 LIPG (0.56) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL2283868 0.84 LIPG (0.63) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL1023984 0.84 LIPG (0.63) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL17581874 0.84 LIPG (0.63) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL184662 0.84 LIPG (0.63) TSHRBIDMCL1BCL2L1BAK1

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
EP-0310681-A1 COMPOSITION FOR VIBRATION DAMPER MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-04-12 — — EP disclosed
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