SCHEMBL7437199

SCHEMBL7437199

COC(=O)C(Br)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.42
CMA1 P23946 1/20 0.42
PGR P06401 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RCE1 Q9Y256 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL6656374 0.84 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL20514279 0.84 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL11276948 0.84 KMT2A (0.50) ALDH1A1KMT2AMEN1LMNAPTGS1
SCHEMBL28847197 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL16811757 0.81 CASP1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL10920938 0.81 CASP1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL3048393 0.81 KMT2A (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL28194047 0.81 KMT2A (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL283103 0.80 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL6302737 0.80 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed
US-4723031-A Processes for synthesizing substituted and unsubstituted aminoacetate esters CHEVRON RESEARCH COMPANY (US) 1988-02-02 US disclosed
US-4643762-A Herbicidal 5-amino-3-oxo-4-(3-substituted-phenyl)-4-pyrroline and derivatives thereof CHEVRON RESEARCH COMPANY (US) 1987-02-17 US disclosed