SCHEMBL11038488

SCHEMBL11038488

[CH2]CCCCC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.48
IDO1 P14902 2/20 0.47
GAA P10253 1/20 0.47
AKR1C3 P42330 1/20 0.47
HTT P42858 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL11040079 0.99 RAB9A (0.54) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL11383154 0.96 RAB9A (0.56) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL15388876 0.93 RAB9A (0.61) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL11043580 0.90 RAB9A (0.59) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL9654481 0.87 RAB9A (0.56) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL27797944 0.86 ALDH1A1 (0.61) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL11039280 0.86 RAB9A (0.55) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL7544051 0.84 ALDH1A1 (0.60) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL5710022 0.84 ALDH1A1 (0.60) RAB9AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL28237905 0.84 ALDH1A1 (0.60) RAB9AALDH1A1MAPK1L3MBTL1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4477447-A ANTIBIOTIC, BACTERICIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-16 US disclosed
US-4464369-A CEPHALOSPORINS, ANTIMICROBIALS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-08-07 US disclosed
EP-0088385-A2 7-Acylamino-3-cephem-4-carboxylic acid derivatives, processes for the preparation of the same and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-09-14 EP disclosed