SCHEMBL15905958

SCHEMBL15905958

CC(Cc1ccc(CNO)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.49
▸ FFAR1 O14842 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ CYP3A4 P08684 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ PTGS1 P23219 3/20 0.44
▸ PTGS2 P35354 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ AKR1C3 P42330 2/20 0.44
▸ CXCR1 P25024 2/20 0.44
▸ CXCR2 P25025 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ ALB P02768 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ RARB P10826 1/20 0.44

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 0.86 TBXAS1 (0.59) TBXAS1FFAR1CYP3A4PTGS1PTGS2
SCHEMBL17108794 0.84 TBXAS1 (0.48) TBXAS1FFAR1IDO1EPHX2PPARG
SCHEMBL15905959 0.82 PTGS2 (0.55) TBXAS1FFAR1EPHX2PPARGCYP3A4
SCHEMBL15905960 0.81 FFAR1 (0.47) TBXAS1FFAR1EPHX2PPARGCYP3A4
SCHEMBL19553694 0.80 PTGS1 (0.66) TBXAS1PTGS1PTGS2LMNACYP2C9
SCHEMBL11647879 0.79 TBXAS1 (0.53) TBXAS1FFAR1PPARGALDH1A1PTGS1
SCHEMBL12696346 0.79 TBXAS1 (0.53) TBXAS1FFAR1PPARGPTGS1PTGS2
SCHEMBL10081972 0.79 TBXAS1 (0.53) TBXAS1FFAR1PPARGPTGS1PTGS2
SCHEMBL1410416 0.79 TBXAS1 (0.53) TBXAS1FFAR1PPARGCYP3A4PTGS1
SCHEMBL11996333 0.79 TBXAS1 (0.53) TBXAS1FFAR1PPARGALDH1A1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637441-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-05-02 — — US disclosed
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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