SCHEMBL599245

SCHEMBL599245

C[C@@](C(=O)O)(c1ccccc1)c1c(-c2cccc3ccccc23)cccc1-c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.52
PPARA Q07869 7/20 0.52
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
PPARD Q03181 1/20 0.49
SLC22A12 Q96S37 1/20 0.47
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.44
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL10708482 0.79 KDM4E (0.49) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL599429 0.78 SLC6A2 (0.47) PPARGPPARACYP2C9CYP2C19PPARD
Bicarbonate SCHEMBL11569280 0.75 NR4A1 (0.58) PPARGPPARACYP2C9CYP2C19PPARD
Trifluoroacetic Acid SCHEMBL1568331 0.74 PPARG (0.50) PPARGPPARACYP2C9CYP2C19PPARD
Bicarbonate SCHEMBL27535643 0.73 NR4A1 (0.56) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL73063 0.73 HDAC3 (0.61) CYP2C19KDM4EALDH1A1HDAC3HDAC4
SCHEMBL4592424 0.73 KDM4E (0.53) PPARGPPARACYP2C9CYP2C19PPARD
Carbamic Acid SCHEMBL31151006 0.72 ALOX5 (0.54) PPARGPPARACYP2C9CYP2C19PPARD
Bromomethane SCHEMBL209562 0.71 HDAC3 (0.59) CYP2C19KDM4EALDH1A1HDAC3HDAC4
Hydrochloric Acid SCHEMBL3674757 0.71 HDAC3 (0.59) CYP2C19KDM4EALDH1A1HDAC3HDAC4

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-8115008-B2 Method for producing optically active ester and method for producing optically active carboxylic acid TOKYO UNIVERSITY OF SCIENCE EDUCATION FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-02-14 US disclosed