SCHEMBL8305529

SCHEMBL8305529

CCCCCCCC(C)(C(=O)OC)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.60
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 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
SCHEMBL27797941 0.85 NPSR1 (0.48) NPSR1HPGDGAAKMT2AMEN1
Hexane SCHEMBL8305527 0.85 NPSR1 (0.66) NPSR1HPGDGAAKMT2AMEN1
SCHEMBL19832964 0.78 NPSR1 (0.44) NPSR1HPGDGAAKMT2AMEN1
SCHEMBL4955211 0.76 KCNN4 (0.49) GAAALDH1A1HTT
SCHEMBL30408092 0.76 NPSR1 (0.78) NPSR1HPGDGAAKMT2ATP53
SCHEMBL4009144 0.76 NPSR1 (0.77) NPSR1HPGDKMT2ATP53LMNA
SCHEMBL28899627 0.75 NPSR1 (0.43) NPSR1HPGDGAAKMT2AMEN1
SCHEMBL11805458 0.75 NPSR1 (0.43) NPSR1HPGDGAAKMT2AMEN1
SCHEMBL22204543 0.75 NPSR1 (0.51) NPSR1KMT2AMEN1TP53ALDH1A1
SCHEMBL4408532 0.74 NPSR1 (0.74) NPSR1HPGDGAAKMT2AMEN1

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
EP-0963983-A1 Indol-2-ones as serotonin modulators ELI LILLY AND COMPANY LIMITED (GB) 1999-12-15 EP disclosed