SCHEMBL9328844

SCHEMBL9328844

COC(=O)C=CC=Cc1cc(N)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.39
P2RY12 Q9H244 1/20 0.39
LMNA P02545 1/20 0.38
EPHX2 P34913 1/20 0.38
TTR P02766 1/20 0.37
APP P05067 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL6159834 0.90 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL6159837 0.90 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL9330267 0.80 CYP1A2 (0.50) ALDH1A1MAPTMEN1CYP1A2HPGD
SCHEMBL9330263 0.79 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL27852162 0.78 MAPT (0.49) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL15888226 0.75 BACE1 (0.59) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL9756691 0.74 CA12 (0.47) ALDH1A1MAPTKDM4EMEN1ALOX15
SCHEMBL4678281 0.74 TTR (0.47) ALDH1A1MAPTKDM4EMEN1CYP1A2
SCHEMBL4678277 0.74 TTR (0.47) ALDH1A1MAPTKDM4EMEN1CYP1A2
SCHEMBL9756693 0.74 CA12 (0.47) ALDH1A1MAPTKDM4EMEN1ALOX15

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-0300387-B1 Phenyl alkenylcarboxylic acids and their esters BASF AG (DE) 1994-03-23 EP disclosed
US-5123955-A Herbicides, chloro and tetrahydrophthalimido-substituted phenyl PLATH PETER (DE) 1992-06-23 US disclosed
US-4933001-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed