SCHEMBL4455664

SCHEMBL4455664

CC(C)(C)Oc1ccc(CC(O)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.50
LDHA P00338 1/20 0.49
KDM6B O15054 1/20 0.47
PTPN1 P18031 1/20 0.47
PPARA Q07869 11/20 0.46
PPARG P37231 7/20 0.46
EPHX2 P34913 1/20 0.42
ABCB1 P08183 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
SCHEMBL4468813 1.00 ACACB (0.50) ACACBLDHAKDM6BPTPN1PPARA
SCHEMBL18247995 0.85 PTPN1 (0.55) ACACBLDHAKDM6BPTPN1PPARA
SCHEMBL20586417 0.85 PTPN1 (0.55) ACACBLDHAKDM6BPTPN1PPARA
SCHEMBL4459826 0.84 ACACB (0.51) ACACBLDHAPPARAPPARGABCB1
SCHEMBL12040135 0.83 ACACB (0.53) ACACBLDHAPTPN1PPARAPPARG
SCHEMBL2118353 0.82 PTPN1 (0.68) ACACBLDHAPTPN1PPARG
SCHEMBL3497698 0.82 ACACB (0.49) ACACBLDHAPTPN1PPARAPPARG
SCHEMBL1258519 0.82 PTPN1 (0.68) ACACBLDHAPTPN1PPARG
SCHEMBL2867832 0.82 PTPN1 (0.68) ACACBLDHAPTPN1PPARG
SCHEMBL8953524 0.81 LDHA (0.73) LDHAKDM6BPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029429-A1 Process for Producing Optically Active 2-Substituent-Oxy-3-(4-Substituent-Oxyphenyl) Propionic Acid Derivative KANEKA CORPORATION (JP) 2009-01-29 US disclosed
EP-1801224-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-SUBSTITUENT-OXY-3-(4-SUBSTITUENT-OXYPHENYL)­PROPIONIC ACID DERIVATIVE Kaneka Corporation (JP) 2007-06-27 EP disclosed
US-4611002-A Carboxymethyl esters of mercaptopropanoic acids as enkephalinase inhibitors E. R. SQUIBB AND SONS, INC. (US) 1986-09-09 US disclosed
US-4242265-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1980-12-30 US disclosed