SCHEMBL10378482

SCHEMBL10378482

CCC(C(=O)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SLC6A3 Q01959 1/20 0.43
AR P10275 1/20 0.43
MAPT P10636 1/20 0.42
EPHX1 P07099 2/20 0.41
GAA P10253 2/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
NPC1 O15118 1/20 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
SCHEMBL10379783 0.91 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2L3MBTL1SLC6A3
SCHEMBL10379312 0.85 GAA (0.51) ALDH1A1KMT2ASMN1; SMN2L3MBTL1SLC6A3
SCHEMBL10379541 0.84 GAA (0.52) ALDH1A1KMT2ASMN1; SMN2L3MBTL1SLC6A3
SCHEMBL10379362 0.81 EPHX2 (0.40) L3MBTL1SLC6A3EPHX1GAANPC1
SCHEMBL10379316 0.80 L3MBTL1 (0.46) ALDH1A1KMT2ASMN1; SMN2L3MBTL1SLC6A3
SCHEMBL10378525 0.80 POLB (0.47) ALDH1A1KMT2ASMN1; SMN2L3MBTL1SLC6A3
SCHEMBL20063945 0.80 EPHX1 (0.54) ALDH1A1KMT2AMAPTEPHX1GAA
SCHEMBL9839589 0.80 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2L3MBTL1SLC6A3
SCHEMBL9839155 0.78 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2L3MBTL1SLC6A3
SCHEMBL10379521 0.78 GAA (0.54) ALDH1A1KMT2AL3MBTL1MAPTGAA

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
EP-0215601-B1 CYCLOALKYL-SUBSTITUTED 4-AMINOPHENYL DERIVATIVES AND PROCESSFOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1990-03-14 EP disclosed
US-4769483-A Cycloalkyl-substituted 4-aminophenyl derivatives and process for their preparation FARMITALIA CARLO ERBA, S.P.A. (IT) 1988-09-06 US disclosed
EP-0215601-A2 Cycloalkyl-substituted 4-aminophenyl derivatives and processfor their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1987-03-25 EP disclosed