SCHEMBL15934216

SCHEMBL15934216

CCCCCNc1ccc(C)c(O)c1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ IDO1 P14902 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TYR P14679 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GPR84 Q9NQS5 3/20 0.36
▸ PLK1 P53350 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL15934301 0.95 KDM6B (0.39) HCAR3CNR1CNR2IDO1ALDH1A1
SCHEMBL15934241 0.87 IDO1 (0.47) HCAR3CNR2IDO1ALDH1A1CYP3A4
SCHEMBL27419249 0.82 KDM6B (0.40) HCAR3CNR1CNR2IDO1ALDH1A1
SCHEMBL27542122 0.82 HCAR3 (0.41) HCAR3CNR1CNR2PLK1L3MBTL1
Iodide SCHEMBL27772285 0.81 HCAR3 (0.40) HCAR3CNR1CNR2PLK1L3MBTL1
SCHEMBL7571211 0.80 KDM4E (0.39) ALDH1A1CYP3A4TSHRRECQLL3MBTL1
SCHEMBL15934239 0.80 CYP3A4 (0.55) HCAR3IDO1ALDH1A1CYP3A4TSHR
SCHEMBL29045180 0.79 TYR (0.47) HCAR3CNR1CNR2IDO1TYR
SCHEMBL9690904 0.77 KDM6B (0.46) HCAR3ALDH1A1CYP3A4L3MBTL1KDM6B
SCHEMBL8958469 0.76 HCAR3 (0.39) HCAR3CNR1CNR2PLK1L3MBTL1

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-2014118093-A2 DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-AMINOPHENOL COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'OREAL (FR) 2014-08-07 — — WO disclosed
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