SCHEMBL12191271

SCHEMBL12191271

CCc1ccc(N(c2ccc(C)cc2)c2ccc(CO)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.42
▸ LPL P06858 1/20 0.42
▸ LIPG Q9Y5X9 1/20 0.42
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ATM Q13315 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MAP2K4 P45985 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
SCHEMBL5953905 0.94 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ACYP2C19
SCHEMBL439592 0.94 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ACYP2C19
SCHEMBL15468969 0.92 LPL (0.48) LPLLIPGALDH1A1TSHRATM
SCHEMBL2632330 0.89 TSHR (0.46) HCRTR2LPLLIPGPOLBALDH1A1
SCHEMBL11938108 0.89 TSHR (0.46) HCRTR2LPLLIPGPOLBALDH1A1
SCHEMBL13383799 0.89 TSHR (0.46) HCRTR2LPLLIPGPOLBALDH1A1
SCHEMBL13383740 0.89 TSHR (0.46) HCRTR2LPLLIPGPOLBALDH1A1
SCHEMBL14174106 0.88 MAP2K4 (0.41) ALDH1A1TSHRMEN1KMT2ACYP2C19
SCHEMBL14173671 0.88 MAP2K4 (0.41) ALDH1A1TSHRMEN1KMT2ACYP2C19
SCHEMBL13308617 0.88 MAP2K4 (0.41) ALDH1A1TSHRMEN1KMT2ACYP2C19

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-8029958-B2 Overcoat layer in photoreceptive device XEROX CORPORATION (US) 2011-10-04 — — US disclosed
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