Benzylic Acid

Benzylic Acid

SCHEMBL7564698

O=C(O)C(O)(c1ccccc1)c1ccccc1.O=C(O)C(O)Cc1ccccc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
PTPRA P18433 1/20 0.42
CPA1 P15085 3/20 0.42
CPA3 P15088 3/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
FOLH1 Q04609 1/20 0.42
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 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
SCHEMBL197252 0.84 CYP1A2 (0.64) CYP1A2NPSR1ALPIPKMPTGS1
SCHEMBL180366 0.84 CYP1A2 (0.64) CYP1A2NPSR1ALPIPKMPTGS1
SCHEMBL8953468 0.84 CYP1A2 (0.64) CYP1A2NPSR1ALPIPKMPTGS1
SCHEMBL57558 0.84 CYP1A2 (0.64) CYP1A2NPSR1ALPIPKMPTGS1
SCHEMBL5800210 0.82 CYP1A2 (0.61) CYP1A2NPSR1ALPIPKMPTGS1
Methane SCHEMBL3799102 0.82 CYP1A2 (0.61) CYP1A2NPSR1ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL1374832 0.82 CYP1A2 (0.61) CYP1A2NPSR1ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL1374834 0.82 CYP1A2 (0.61) CYP1A2NPSR1ALPIPKMPTGS1
Acetone SCHEMBL16013120 0.78 ALPI (0.59) CYP2C9CYP1A2NPSR1ALPIPKM
Benzylic Acid SCHEMBL7066 0.78 CYP2C9 (0.74) CYP2C9CYP1A2LMNACYP2D6HIF1A

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
WO-2002067890-A2 METHOD AND PRODUCT FOR SKIN LIGHTENING UNILEVER PLC (GB) 2002-09-06 WO disclosed