SCHEMBL10496145

SCHEMBL10496145

CC1=CCC(C)C(C)([N+](=O)[O-])C1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NR3C1 P04150 2/20 0.31
PGR P06401 2/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL22236893 0.62
SCHEMBL5202819 0.61 LIG1 (0.30)
SCHEMBL10071225 0.59 KDM1A (0.50) MEN1CYP2C19KMT2A
SCHEMBL9452606 0.59
SCHEMBL10496172 0.58 LMNA (0.40) MEN1KMT2A
SCHEMBL4690942 0.58 ACHE (0.30)
SCHEMBL10071236 0.57 MEN1 (0.47) MEN1CYP2C19KMT2A
SCHEMBL10496241 0.57 GLI1 (0.33)
SCHEMBL11225147 0.57 LMNA (0.32)
SCHEMBL18951156 0.57 TDP1 (0.30)

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-4861925-A Process for the preparation of nitroolefins W. R. GRACE & CO.-CONN. (US) 1989-08-29 US disclosed