SCHEMBL13613647

SCHEMBL13613647

COc1ccc(CNC(=O)Nc2cccc3c2CC(O)CC3)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
TRPV1 Q8NER1 11/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
OPRM1 P35372 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 1/20 0.45
APEX1 P27695 1/20 0.44
QPCT Q16769 1/20 0.44

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
SCHEMBL2733678 0.93 GAA (0.48) GAAALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL2734521 0.93 GAA (0.48) GAAALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL13613633 0.87 ALDH1A1 (0.50) GAAALDH1A1MEN1KMT2ATRPV1
SCHEMBL13613614 0.87 KDM4E (0.56) ALDH1A1MEN1KMT2ATRPV1SMN1; SMN2
SCHEMBL2734544 0.87 TRPV1 (0.48) GAATRPV1LMNASMN1; SMN2OPRM1
SCHEMBL2733684 0.86 HDAC1 (0.48) ALDH1A1MEN1KMT2ATRPV1LMNA
SCHEMBL2734372 0.86 F3 (0.45) GAAALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL2734530 0.86 L3MBTL1 (0.48) ALDH1A1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL4339142 0.84 TRPV1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2734754 0.84 KDM4E (0.53) ALDH1A1MEN1KMT2ATRPV1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed