SCHEMBL28147152

SCHEMBL28147152

O=C(O)CC(Oc1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.38
PPARG P37231 6/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
PPARA Q07869 3/20 0.36
KCNN4 O15554 1/20 0.35
FFAR1 O14842 1/20 0.35
SLC13A5 Q86YT5 3/20 0.35
MIF P14174 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL26135574 0.86 CYP2C19 (0.44) CYP2C19HIF1AALOX15CYP1A2PPARG
SCHEMBL6387363 0.80 CYP2C19 (0.53) CYP2C19HIF1AALOX15CYP1A2ALDH1A1
SCHEMBL4218557 0.80 CYP3A4 (0.41) CYP2C19HIF1APPARGPPARAFFAR1
SCHEMBL27420180 0.78 HPGD (0.44) ALDH1A1
SCHEMBL36736 0.76 ALOX15 (0.45) CYP2C19HIF1AALOX15CYP1A2PPARG
SCHEMBL28377681 0.75 ALOX15 (0.48) CYP2C19HIF1AALOX15PPARGPPARA
SCHEMBL2365011 0.73 MTNR1A (0.51) ALOX15TSHR
SCHEMBL3237969 0.72 MAPT (0.42) ALOX15PPARGPPARAKCNN4
SCHEMBL10713019 0.72 ALOX15 (0.45) CYP2C19HIF1AALOX15CYP1A2PPARG
SCHEMBL24361254 0.70 ALOX15 (0.44) CYP2C19HIF1AALOX15CYP1A2PPARG

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
CN-106604935-B Method for producing terminal-modified conjugated diene polymer, rubber composition, and tire 株式会社普利司通 2019-02-22 CN disclosed
CN-106604935-A Method for producing terminal-modified conjugated diene polymer, rubber composition, and tire 株式会社普利司通 2017-04-26 CN disclosed