SCHEMBL7438718

SCHEMBL7438718

O=C(O)CCCOc1ccc([N+](=O)[O-])c(C2OCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.43
KDM4E B2RXH2 4/20 0.43
FFAR1 O14842 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT5 Q9NXA8 2/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL22754453 0.81 MAPT (0.41) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22522163 0.79 SIRT5 (0.39) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10656431 0.78 ALDH1A1 (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10176161 0.76 MAPT (0.62) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2476070 0.76 NPC1 (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18155130 0.76 PPARA (0.49) KDM4EFFAR1SIRT5MEN1KMT2A
SCHEMBL2555832 0.74 SIRT5 (0.51) FFAR4KDM4EFFAR1ALDH1A1SIRT5
SCHEMBL10658982 0.74 BACE1 (0.41) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20982464 0.74 MAPT (0.51) FFAR4FFAR1ALDH1A1SMN1; SMN2SIRT5
SCHEMBL5575733 0.74 SIRT5 (0.44) FFAR4KDM4EFFAR1SIRT5MEN1

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-5196428-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1993-03-23 US disclosed