SCHEMBL31077788

SCHEMBL31077788

CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.70
▸ SPR P35270 4/20 0.70
▸ KDM4E B2RXH2 3/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ NPSR1 Q6W5P4 2/20 0.70
▸ CYP2D6 P10635 2/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ MAPT P10636 1/20 0.70
▸ IDO1 P14902 1/20 0.70
▸ HPGD P15428 1/20 0.70
▸ BLM P54132 1/20 0.70
▸ NOTUM Q6P988 1/20 0.70
▸ NQO2 P16083 1/20 0.63
▸ LMNA P02545 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ HTR2C P28335 1/20 0.61
▸ KMT2A Q03164 1/20 0.61

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
SCHEMBL798165 1.00 TRPV1 (0.70) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL2534000 0.91 TYR (0.62) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL8613795 0.88 TRPV1 (0.55) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL7318352 0.87 MTNR1A (0.70) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL2544150 0.87 HPGD (0.55) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL8194888 0.87 NOTUM (0.70) TRPV1SPRMAPTNOTUM
SCHEMBL29958743 0.86 SPR (0.58) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL16208899 0.86 SPR (0.58) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL16216347 0.86 SPR (0.58) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL16208898 0.86 SPR (0.58) TRPV1SPRKDM4EALDH1A1NPSR1

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
CN-118715204-A Compounds of formula (I) 普赛洛私人有限公司 2024-09-27 — — CN disclosed
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