SCHEMBL9158002

SCHEMBL9158002

CCC[C@H](O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
MEN1 O00255 1/20 0.62
HPGD P15428 1/20 0.62
KMT2A Q03164 1/20 0.62
ACP3 P15309 1/20 0.49
TSHR P16473 3/20 0.48
LMNA P02545 3/20 0.48
GRM8 O00222 4/20 0.47
GRM4 Q14833 4/20 0.47
GRM6 O15303 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL9157996 1.00 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2AACP3
SCHEMBL19339253 0.92 L3MBTL1 (0.60) L3MBTL1MEN1HPGDKMT2AACP3
SCHEMBL2367944 0.90 L3MBTL1 (0.64) L3MBTL1MEN1HPGDKMT2AACP3
SCHEMBL1983563 0.90 L3MBTL1 (0.64) L3MBTL1MEN1HPGDKMT2AACP3
SCHEMBL3779030 0.87 L3MBTL1 (0.61) L3MBTL1MEN1HPGDKMT2AACP3
SCHEMBL2509178 0.87 L3MBTL1 (0.65) L3MBTL1MEN1HPGDKMT2AACP3
SCHEMBL6898173 0.87 L3MBTL1 (0.65) L3MBTL1MEN1HPGDKMT2AACP3
SCHEMBL11452596 0.86 L3MBTL1 (0.59) L3MBTL1MEN1HPGDKMT2AACP3
SCHEMBL20921363 0.83 KMT2A (0.56) L3MBTL1MEN1HPGDKMT2AACP3
SCHEMBL9154689 0.82 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2AACP3

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-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed