SCHEMBL11745331

SCHEMBL11745331

CCN(c1cccc([N+](=O)[O-])c1)C(C)OC(=O)CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 3/20 0.42
ATM Q13315 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL11740287 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTMEN1NPSR1
SCHEMBL11731994 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTMEN1NPSR1
SCHEMBL11745642 0.72 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTMEN1NPSR1
SCHEMBL8877711 0.71 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTMEN1NPSR1
SCHEMBL1820229 0.70 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL11445352 0.70 CACNA1C (0.44) ALDH1A1KMT2AMAPTMEN1NPSR1
SCHEMBL5813680 0.69 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTMEN1NPSR1
SCHEMBL4707186 0.69 TRPM8 (0.60) ALDH1A1KMT2AMAPTMEN1NPSR1
SCHEMBL1468921 0.69 CYP1A2 (0.56) ALDH1A1KMT2AMAPTMEN1NPSR1
SCHEMBL3159374 0.69 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTMEN1NPSR1

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-4014864-A POLYESTER FIBERS CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed