SCHEMBL2229985

SCHEMBL2229985

CCC(Nc1ccccc1)=C(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 2/20 0.40

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
SCHEMBL2229983 1.00 MAPT (0.45) MAPTGAAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21326162 0.81 LMNA (0.46) MAPTALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL21326166 0.81 LMNA (0.46) MAPTALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL6426292 0.75 NAPRT (0.53) MAPTGAAALDH1A1SMN1; SMN2NAPRT
SCHEMBL11496108 0.75 MAPT (0.51) MAPTGAAALDH1A1SMN1; SMN2CYP2C19
SCHEMBL27935499 0.72 NAPRT (0.50) MAPTGAAALDH1A1SMN1; SMN2NAPRT
SCHEMBL7549566 0.72 CES2 (0.47) MAPTGAAALDH1A1KMT2AHTT
SCHEMBL16142592 0.71 CYP1A2 (0.56) MAPTGAAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21598047 0.70 KMT2A (0.44) MAPTGAAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27512055 0.70 SMN1; SMN2 (0.54) MAPTGAAALDH1A1SMN1; SMN2CYP1A2

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
WO-2011091410-A1 TRPV4 ANTAGONISTS GLAXOS SMITHKLINE LLC (US) 2011-07-28 WO disclosed