SCHEMBL17428655

SCHEMBL17428655

COc1cc(C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.59
LMNA P02545 5/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
PDE7A Q13946 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 2/20 0.52
TTR P02766 3/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
ACHE P22303 1/20 0.46
TBXA2R P21731 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL20855342 0.86 S1PR4 (0.73) S1PR4LMNAMAPTALDH1A1MAPK1
SCHEMBL29485957 0.83 LMNA (0.59) S1PR4LMNAMAPTALDH1A1MAPK1
SCHEMBL1119379 0.83 LMNA (0.59) S1PR4LMNAMAPTALDH1A1MAPK1
SCHEMBL10387432 0.83 PDE7A (0.71) S1PR4LMNAMAPTALDH1A1MAPK1
SCHEMBL3149944 0.82 L3MBTL1 (0.72) LMNAMAPTALDH1A1SMN1; SMN2TTR
SCHEMBL3654191 0.81 PDE7A (0.63) S1PR4LMNAMAPTALDH1A1MAPK1
SCHEMBL9687621 0.80 TSHR (0.64) S1PR4LMNAMAPTALDH1A1MAPK1
SCHEMBL12850975 0.79 TTR (0.67) LMNAMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL317536 0.78 ALDH1A1 (0.66) S1PR4LMNAMAPTALDH1A1MAPK1
SCHEMBL18184327 0.78 S1PR4 (0.56) S1PR4LMNAMAPTALDH1A1MAPK1

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-2016007534-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 WO disclosed