SCHEMBL4823165

SCHEMBL4823165

CC(CC(=O)C=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
STAT3 P40763 1/20 0.49
HPGD P15428 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 2/20 0.46
BCHE P06276 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TRPA1 O75762 2/20 0.44
CYP2D6 P10635 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42

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
SCHEMBL13637195 0.86 HPGD (0.47) FFAR1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL14259532 0.80 STAT3 (0.53) FFAR1STAT3HPGDCYP3A4CYP2C19
SCHEMBL237091 0.79 FFAR1 (0.70) FFAR1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL1149768 0.79 FFAR1 (0.70) FFAR1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL237090 0.79 FFAR1 (0.70) FFAR1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL11399936 0.79 ACHE (0.60) FFAR1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL7398650 0.79 ACHE (0.60) FFAR1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL3577054 0.78 KDM4E (0.50) RAB9ATAAR1CYP2D6
SCHEMBL2899426 0.78 FFAR1 (0.68) FFAR1HPGDCYP3A4CYP2C19RAB9A
Hydrochloric Acid SCHEMBL2005345 0.78 FFAR1 (0.68) FFAR1HPGDCYP3A4CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393966-B2 Process for preparing platinum catalyst WACKER CHEMIE AG (DE) 2008-07-01 US disclosed
US-20080103322-A1 PROCESS FOR PREPARING PLATINUM CATALYST WACKER CHEMIE AG (DE) 2008-05-01 US disclosed