Phenylacetic Acid

Phenylacetic Acid

SCHEMBL3820170

CCC(C(=O)OCCc1ccccc1)c1ccccc1.O=C(O)Cc1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.51
KDM4A O75164 1/20 0.49
CHRM1 P11229 1/20 0.49
AKR1B1 P15121 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3823366 0.93 KDM4E (0.62) KDM4EPOLBKDM4ACHRM1MEN1
SCHEMBL19183449 0.81 ALOX5 (0.48) KDM4EPOLBKDM4AL3MBTL1MAPT
Phenylacetic Acid SCHEMBL1829196 0.81 AKR1B1 (0.59) POLBKDM4AAKR1B1MEN1KMT2A
SCHEMBL3954433 0.79 KDM4E (0.62) KDM4ECHRM1MEN1KMT2ALMNA
SCHEMBL10279459 0.78 KDM4E (0.70) KDM4EPOLBCHRM1MEN1KMT2A
SCHEMBL27410877 0.77 ALDH1A1 (0.55) KDM4EPOLBKDM4ACHRM1MEN1
Phenylacetic Acid SCHEMBL29527733 0.77 AKR1B1 (0.59) AKR1B1LMNAL3MBTL1HTTALDH1A1
SCHEMBL12812894 0.77 KDM4E (0.61) KDM4ECHRM1MEN1KMT2ALMNA
SCHEMBL6756399 0.76 KDM4E (0.59) KDM4ECHRM1MEN1KMT2ALMNA
SCHEMBL19105213 0.76 HCAR2 (0.51) AKR1B1LMNAL3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802290-A4 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTIMENTS INC (US) 2009-08-19 EP disclosed
EP-1802290-A2 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS ISP Investiments Inc. (US) 2007-07-04 EP disclosed
WO-2006041506-A2 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTMENTS INC. (US) 2006-04-20 WO disclosed