SCHEMBL15905960

SCHEMBL15905960

CONCc1ccc(CC(C)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.47
▸ TBXAS1 P24557 2/20 0.46
▸ PPARA Q07869 3/20 0.45
▸ PPARD Q03181 2/20 0.45
▸ LDHA P00338 1/20 0.45
▸ PPARG P37231 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CXCR1 P25024 3/20 0.42
▸ CXCR2 P25025 3/20 0.42
▸ PTGS1 P23219 3/20 0.41
▸ PTGS2 P35354 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP2C9 P11712 2/20 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
SCHEMBL11237591 0.82 TBXAS1 (0.59) FFAR1TBXAS1LDHACYP3A4TSHR
SCHEMBL15905958 0.81 TBXAS1 (0.49) FFAR1TBXAS1PPARAPPARDPPARG
SCHEMBL17108794 0.79 TBXAS1 (0.48) FFAR1TBXAS1PPARAPPARDPPARG
SCHEMBL15905959 0.78 PTGS2 (0.55) FFAR1TBXAS1PPARAPPARDPPARG
SCHEMBL22751983 0.78 LOXL2 (0.56) TBXAS1LDHAPPARGEPHX2TSHR
SCHEMBL23582892 0.78 LOXL2 (0.56) TBXAS1LDHAPPARGEPHX2TSHR
SCHEMBL13577833 0.78 LOXL2 (0.56) TBXAS1LDHAPPARGEPHX2TSHR
SCHEMBL663059 0.77 LDHA (0.73) FFAR1PPARALDHAPPARG
SCHEMBL8283100 0.77 LDHA (0.73) FFAR1PPARALDHAPPARG
SCHEMBL19553694 0.76 PTGS1 (0.66) TBXAS1TSHRCXCR1CXCR2PTGS1

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-8791231-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-07-29 — — US disclosed
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