SCHEMBL19284522

SCHEMBL19284522

CCOC(=O)c1cccc(N2CCc3cc(O)ccc3C2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ATM Q13315 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ ESR2 Q92731 4/20 0.42
▸ ESR1 P03372 3/20 0.42
▸ KDR P35968 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 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
SCHEMBL30109372 0.89 ALDH1A1 (0.55) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL19284532 0.87 MAPT (0.51) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL15238230 0.81 KDR (0.58) ALOX5ALDH1A1RAB9AATMSMN1; SMN2
SCHEMBL18960451 0.78 MEN1 (0.50) MEN1KMT2AESR2ESR1CA12
SCHEMBL8698788 0.77 PLOD2 (0.56) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL14881406 0.77 ALOX5 (0.55) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL19122415 0.76 PCSK9 (0.56) ALDH1A1MAPTMEN1KMT2AUSP2
SCHEMBL10144997 0.76 ALOX5 (0.60) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL3097713 0.76 ALOX5 (0.60) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL14881542 0.75 ALOX5 (0.56) ALOX5ALDH1A1MAPTMEN1KMT2A

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
WO-2017147047-A1 FXR MODULATORS AND METHODS OF THEIR USE ALIOS BIOPHARMA, INC. (US) 2017-08-31 — — WO disclosed
WO-2017147047-A1 FXR MODULATORS AND METHODS OF THEIR USE ALIOS BIOPHARMA, INC. (US) 2017-08-31 — — WO disclosed
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