SCHEMBL7525386

SCHEMBL7525386

CC(Cl)C(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 7/20 0.53
BRD4 O60885 1/20 0.50
POLB P06746 2/20 0.46
CYP2D6 P10635 3/20 0.45
ADRB2 P07550 1/20 0.43
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GABBR2 O75899 2/20 0.41
GABBR1 Q9UBS5 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 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
SCHEMBL1677207 0.86 FFAR2 (0.65) FFAR2MEN1KMT2ALMNA
SCHEMBL1405698 0.86 FFAR2 (0.65) FFAR2MEN1KMT2ALMNA
SCHEMBL68169 0.86 FFAR2 (0.65) FFAR2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL9862939 0.84 FFAR2 (0.62) FFAR2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL9862940 0.84 FFAR2 (0.62) FFAR2MEN1KMT2ALMNA
SCHEMBL27563008 0.84 FFAR2 (0.62) FFAR2MEN1KMT2ALMNA
Ammonia Solution, Strong SCHEMBL10607681 0.84 FFAR2 (0.62) FFAR2MEN1KMT2ALMNA
SCHEMBL31686418 0.79 FFAR2 (0.49) FFAR2BRD4POLBCYP2D6CYP2C9
SCHEMBL3496208 0.79 CYP2D6 (0.55) FFAR2BRD4POLBCYP2D6MEN1
SCHEMBL1905489 0.78 FFAR2 (0.47) FFAR2BRD4POLBCYP2D6ADRB2

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-0718407-B1 Intermediates for the synthesis of eliprodil enantiomers and process for their preparation SANOFI SYNTHELABO (FR) 2002-02-13 EP claimed
JP-8252097-A None JP disclosed
JP-H08252097-A INTERMEDIATE IN SYNTHESIS OF ENANTIOMER OF ELIPRODIL AND ITS PRODUCTION SYNTHELABO SA 1996-10-01 JP disclosed