SCHEMBL10169775

SCHEMBL10169775

CCCCCC(=O)Cc1ccc2c(=O)occc2c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ TP53 P04637 1/20 0.32
▸ KMT2A Q03164 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ ALPL P05186 1/20 0.31
▸ ALPI P09923 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30

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
SCHEMBL461910 0.67 ALDH1A1 (0.49) TRPV1ALDH1A1TDP1MAPTTP53
SCHEMBL7412813 0.67 TRPV1 (0.45) TRPV1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL7406239 0.66 HPGD (0.45) TRPV1ALDH1A1TDP1MAPTKDM4E
Ethylene SCHEMBL7414666 0.65 TRPV1 (0.43) TRPV1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL7407879 0.64 SMN1; SMN2 (0.44) TRPV1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL14032363 0.63 ALDH1A1 (0.68) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7410546 0.62 TDP1 (0.45) ALDH1A1TDP1MAPTKMT2AKDM4E
SCHEMBL28288273 0.61 CA1 (0.53) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL25262746 0.60 GAA (0.47) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL25258554 0.60 GAA (0.47) ALDH1A1TDP1MAPTKMT2AMEN1

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-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 — — US disclosed
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