SCHEMBL11685653

SCHEMBL11685653

Cc1cc(CNc2ccccc2)cc(CC(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ GABRA1 P14867 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ MAOB P27338 2/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HIF1A Q16665 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SHBG P04278 1/20 0.37

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
SCHEMBL38650833 0.77 GABRA1 (0.53) GABRA1GABRB2SHBG
SCHEMBL23387416 0.77 GABRA1 (0.53) GABRA1GABRB2SHBG
Dimethylamine SCHEMBL7033752 0.76 SHBG (0.50) GABRA1GABRB2SHBG
SCHEMBL2783561 0.70 MEN1 (0.43) HTTGABRA1GABRB2MAOBHIF1A
SCHEMBL2741253 0.70 MEN1 (0.43) HTTGABRA1GABRB2MAOBHIF1A
SCHEMBL2783560 0.70 MEN1 (0.43) HTTGABRA1GABRB2MAOBHIF1A
SCHEMBL2783563 0.70 MEN1 (0.43) HTTGABRA1GABRB2MAOBHIF1A
SCHEMBL11679976 0.70 ALOX15 (0.50) HTTGABRA1GABRB2MAPTMEN1
SCHEMBL28666259 0.70 THRA (0.47) GABRA1GABRB2SHBG
SCHEMBL11685485 0.69 GABRA1 (0.55) GABRA1GABRB2

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-4038327-A ANTIOXIDANTS FOR POLYOLEFINS THE QUAKER OATS COMPANY (US) 1977-07-26 — — US disclosed
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