SCHEMBL10983129

SCHEMBL10983129

O=C(O)C(COc1ccccc1)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.66
MME P08473 2/20 0.58
CPA1 P15085 6/20 0.58
CPA3 P15088 3/20 0.58
FOLH1 Q04609 2/20 0.58
CPB1 P15086 1/20 0.58
CPB2 Q96IY4 1/20 0.58
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
SLC1A1 P43005 1/20 0.53
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51

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
SCHEMBL27476158 0.86 MME (0.52) CYP1A2MMECPA1CPA3FOLH1
SCHEMBL7087892 0.81 LMNA (0.50) CYP1A2MMEPPARGPPARA
SCHEMBL27427221 0.81 SLC1A1 (0.61) CYP1A2MMEFOLH1SLC1A1PPARG
SCHEMBL4664822 0.80 CYP1A2 (1.00) CYP1A2MMECPA1CPA3FOLH1
SCHEMBL11052073 0.80 LMNA (0.53) CYP1A2MMEPPARGPPARA
SCHEMBL4849974 0.80 PPARG (0.51) CYP1A2MMEPPARGPPARA
SCHEMBL7267044 0.79 SLC1A1 (0.67) CYP1A2MMECPA1CPA3FOLH1
SCHEMBL9081822 0.79 CYP1A2 (0.71) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL27816147 0.79 SLC1A1 (0.67) CYP1A2MMECPA1CPA3FOLH1
SCHEMBL27816149 0.79 SLC1A1 (0.67) CYP1A2MMECPA1CPA3FOLH1

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
US-4552977-A Process for the preparation of (phenoxy- or benzyl-)-phenoxypropionic acids and their alkali metal salts HOECHST AKTIENGESELLSCHAFT (DE) 1985-11-12 US claimed