SCHEMBL525874

SCHEMBL525874

CC(Cc1ccc2c(c1)CCN2CC(Cc1ccccc1)C(=O)O)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CPA1 P15085 7/20 0.43
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CPA3 P15088 1/20 0.36

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
SCHEMBL12505325 0.85 CPA1 (0.38) CTSLCPA1TP53LMNACYP1A2
SCHEMBL12505321 0.84 CPA1 (0.38) CTSLCPA1TP53LMNACYP1A2
SCHEMBL525875 0.79 MAPT (0.46) TP53LMNAALDH1A1
SCHEMBL525876 0.79 TP53 (0.38) CTSLTP53LMNATSHR
SCHEMBL18902665 0.77 EPHX2 (0.41) TP53LMNAALDH1A1
SCHEMBL526096 0.77 CYP1A2 (0.43) CTSLCPA1TP53LMNACYP1A2
SCHEMBL12817652 0.77 MAPT (0.39) TP53LMNAALDH1A1
SCHEMBL2548785 0.77 SCN1A (0.40) TP53LMNAALDH1A1TSHR
SCHEMBL17516010 0.76 S1PR1 (0.42) TP53LMNAALDH1A1
SCHEMBL16166497 0.75 MAPT (0.43) TP53LMNAALDH1A1

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
WO-2012014186-A1 PROCESS FOR THE PREPARATION OF SILODOSIN AND ITS NOVEL INTERMEDIATES RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed