SCHEMBL17108794

SCHEMBL17108794

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.48
▸ FFAR1 O14842 2/20 0.46
▸ IDO1 P14902 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ CYP3A4 P08684 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PTGS1 P23219 3/20 0.43
▸ PTGS2 P35354 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ CXCR1 P25024 2/20 0.43
▸ CXCR2 P25025 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ RARB P10826 1/20 0.43

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 0.84 TBXAS1 (0.59) TBXAS1FFAR1CYP3A4PTGS1PTGS2
SCHEMBL15905958 0.84 TBXAS1 (0.49) TBXAS1FFAR1IDO1EPHX2PPARG
SCHEMBL15905959 0.81 PTGS2 (0.55) TBXAS1FFAR1EPHX2PPARGCYP3A4
SCHEMBL17108793 0.80 EPHX2 (0.44) TBXAS1FFAR1EPHX2PPARGPTGS1
SCHEMBL12611746 0.80 SLC7A5 (0.65) CYP3A4ALDH1A1MAPTPTGS1PTGS2
SCHEMBL8237191 0.80 SLC7A5 (0.65) CYP3A4ALDH1A1MAPTPTGS1PTGS2
SCHEMBL12200630 0.79 TBXAS1 (0.51) TBXAS1FFAR1PTGS1PTGS2LMNA
SCHEMBL15568884 0.79 TBXAS1 (0.51) TBXAS1FFAR1PTGS1PTGS2LMNA
SCHEMBL16017643 0.79 TBXAS1 (0.51) TBXAS1FFAR1PTGS1PTGS2LMNA
SCHEMBL28052529 0.79 TBXAS1 (0.51) TBXAS1FFAR1PTGS1PTGS2LMNA

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
WO-2015143224-A1 CHIMERIC ANTIGEN RECEPTOR-MODIFIED T-CELLS AMBRX, INC. (US) 2015-09-24 — — WO disclosed
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