SCHEMBL15905959

SCHEMBL15905959

CNNCc1ccc(CC(C)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ TBXAS1 P24557 2/20 0.50
▸ FFAR1 O14842 2/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ PTGS1 P23219 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ AKR1C3 P42330 2/20 0.42
▸ CXCR1 P25024 2/20 0.42
▸ CXCR2 P25025 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ALOX5 P09917 1/20 0.42

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 0.83 TBXAS1 (0.59) PTGS2LMNACYP1A2TBXAS1FFAR1
SCHEMBL15905958 0.82 TBXAS1 (0.49) PTGS2LMNAALDH1A1TBXAS1FFAR1
SCHEMBL17108794 0.81 TBXAS1 (0.48) PTGS2LMNAALDH1A1TBXAS1FFAR1
SCHEMBL27674018 0.79 TBXAS1 (0.49) PTGS2LMNATBXAS1FFAR1EPHX2
SCHEMBL15905960 0.78 FFAR1 (0.47) PTGS2LMNAALDH1A1ALOX15TBXAS1
SCHEMBL19553694 0.77 PTGS1 (0.66) PTGS2LMNATBXAS1PTGS1CYP2C9
SCHEMBL11647879 0.76 TBXAS1 (0.53) PTGS2LMNAALDH1A1TBXAS1FFAR1
SCHEMBL12696346 0.76 TBXAS1 (0.53) PTGS2LMNATBXAS1FFAR1PPARG
SCHEMBL10081972 0.76 TBXAS1 (0.53) PTGS2LMNATBXAS1FFAR1PPARG
SCHEMBL1410416 0.76 TBXAS1 (0.53) PTGS2LMNATBXAS1FFAR1PPARG

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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