Benzylic Acid

Benzylic Acid

SCHEMBL4414459

Nc1ccco1.O=C(O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.52
CYP2D6 P10635 2/20 0.41
HIF1A Q16665 1/20 0.41
PTPN1 P18031 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
PTPN7 P35236 1/20 0.39
BLM P54132 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP1A2 P05177 2/20 0.38
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
CFTR P13569 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
RAB9A P51151 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
Bicarbonate SCHEMBL28131645 0.80 KMT2A (0.50) PTPN1KMT2AL3MBTL1POLBPKM
Bicarbonate SCHEMBL28131644 0.80 KMT2A (0.50) PTPN1KMT2AL3MBTL1POLBPKM
Benzylic Acid SCHEMBL21434289 0.80 CYP2C9 (0.68) CYP2C9CYP2D6HIF1AKMT2AL3MBTL1
Benzylic Acid SCHEMBL7066 0.80 CYP2C9 (0.74) CYP2C9CYP2D6HIF1AKMT2AL3MBTL1
SCHEMBL71405 0.80 CYP2C9 (0.48) CYP2C9CYP2D6HIF1APTPN1KMT2A
Citric Acid SCHEMBL3498933 0.79 ALDH1A1 (0.50) CYP2D6HIF1APTPN1KMT2AL3MBTL1
Benzylic Acid SCHEMBL1680669 0.78 CYP2C9 (0.71) CYP2C9CYP2D6HIF1AKMT2AL3MBTL1
Benzylic Acid SCHEMBL9181980 0.78 CYP2C9 (0.71) CYP2C9CYP2D6HIF1AKMT2AL3MBTL1
Benzylic Acid SCHEMBL20957595 0.78 CYP2C9 (0.71) CYP2C9CYP2D6HIF1AKMT2AL3MBTL1
Benzylic Acid SCHEMBL5705762 0.78 CYP2C9 (0.71) CYP2C9CYP2D6HIF1AKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757376-B2 Pharmaceutical compositions GM PHARMACEUTICALS, INC. (US) 2017-09-12 US claimed
EP-1641446-A1 PHARMACEUTICAL COMPOSITIONS INCLUDING AN ANTIHISTAMINE AND A STIMULANT AND USE THEREOF Pediamed Pharmaceuticals, Inc. (US) 2006-04-05 EP claimed
WO-2004112771-A1 PHARMACEUTICAL COMPOSITIONS INCLUDING AN ANTIHISTAMINE AND A STIMULANT AND USE THEREOF PEDIAMED PHARMACEUTICALS, INC. (US) 2004-12-29 WO claimed
US-20040259809-A1 Pharmaceutical compositions including an antihistamine and a stimulant and method of use thereof PEDIAMED PHARMACEUTICALS, INC. 2004-12-23 US claimed
US-10987365-B2 Compositions and methods for the treatment of pain GM PHARMACEUTICALS, INC. (US) 2021-04-27 US disclosed
US-9757376-B2 Pharmaceutical compositions GM PHARMACEUTICALS, INC. (US) 2017-09-12 US disclosed
US-20170020873-A1 PHARMACEUTICAL COMPOSITIONS GM PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-9463191-B2 Pharmaceutical compositions GM PHARMACEUTICALS, INC. (US) 2016-10-11 US disclosed
US-20150265615-A1 PHARMACEUTICAL COMPOSITIONS GM PHARMACEUTICALS, INC. 2015-09-24 US disclosed
US-9050289-B2 Pharmaceutical compositions GM PHARMACEUTICALS, INC. (US) 2015-06-09 US disclosed
US-20130210835-A1 PHARMACEUTICAL COMPOSITIONS GM PHARMACEUTICAL, INC (US) 2013-08-15 US disclosed
US-20090325999-A1 PERSONALIZED PHARMACEUTICAL KITS, PACKAGING AND COMPOSITIONS FOR THE TREATMENT OF ALLERGIC CONDITIONS JDP THERAPEUTICS, INC. 2009-12-31 US disclosed
EP-1641446-A1 PHARMACEUTICAL COMPOSITIONS INCLUDING AN ANTIHISTAMINE AND A STIMULANT AND USE THEREOF Pediamed Pharmaceuticals, Inc. (US) 2006-04-05 EP disclosed
WO-2004112771-A1 PHARMACEUTICAL COMPOSITIONS INCLUDING AN ANTIHISTAMINE AND A STIMULANT AND USE THEREOF PEDIAMED PHARMACEUTICALS, INC. (US) 2004-12-29 WO disclosed
US-20040259809-A1 Pharmaceutical compositions including an antihistamine and a stimulant and method of use thereof PEDIAMED PHARMACEUTICALS, INC. 2004-12-23 US disclosed