SCHEMBL10908034

SCHEMBL10908034

CCCCCCCOC(=O)c1ccc(C2CCC(C3CCC(CCC)CC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MAPK1 P28482 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ STS P08842 6/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ NR1H2 P55055 1/20 0.46
▸ RNASEL Q05823 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ PDE4D Q08499 1/20 0.45

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
SCHEMBL10909838 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTNPC1
SCHEMBL10910239 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTNPC1
SCHEMBL10908029 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTNPC1
SCHEMBL10909989 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTNPC1
SCHEMBL10909974 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTNPC1
SCHEMBL10909983 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTNPC1
SCHEMBL10908037 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTNPC1
SCHEMBL10910252 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTNPC1
SCHEMBL10910248 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTNPC1
SCHEMBL10909835 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTNPC1

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
US-4620938-A Hydroterphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-04 — — US disclosed
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