SCHEMBL14095018

SCHEMBL14095018

C/C(=C/C=C1/OCC(C)(C)N1C)Cc1ccc(C)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ POLB P06746 1/20 0.31

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
SCHEMBL14015981 0.88 HTT (0.31) —
SCHEMBL14015980 0.83 FAAH (0.30) ALDH1A1FAAHMGLL
SCHEMBL14095017 0.79 MEN1 (0.39) ALDH1A1HPGDCYP2C19POLB
SCHEMBL13398992 0.69 — —
SCHEMBL14015987 0.64 HRH3 (0.35) ALDH1A1FAAHMGLLHPGDCYP2C19
SCHEMBL6245981 0.63 AGXT (0.43) ALDH1A1FAAHMGLLHPGD
SCHEMBL9064346 0.63 AGXT (0.43) ALDH1A1FAAHMGLLHPGD
SCHEMBL13419346 0.62 — —
SCHEMBL17445954 0.62 MAPT (0.55) ALDH1A1HPGDCYP2C19POLB
SCHEMBL17445963 0.60 — —

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-7407648-B2 Merocyanine derivatives for cosmetic use CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-05 — — US disclosed
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