SCHEMBL19910455

SCHEMBL19910455

CN(CCOc1ccc(C(=O)O)cc1F)Cc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LTA4H P09960 1/20 0.48
▸ SLC6A9 P48067 1/20 0.47
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ACHE P22303 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MCHR1 Q99705 2/20 0.44
▸ MRGPRX4 Q96LA9 2/20 0.43
▸ LPAR1 Q92633 1/20 0.43
▸ LPAR5 Q9H1C0 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
SCHEMBL19910374 0.91 KDM4E (0.46) L3MBTL1KDM4EALDH1A1LTA4HSLC6A9
SCHEMBL21574223 0.90 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1SLC6A9THRA
SCHEMBL19910396 0.88 L3MBTL1 (0.61) L3MBTL1KDM4EALDH1A1THRATHRB
SCHEMBL19910479 0.84 LPAR1 (0.55) KDM4EALDH1A1LTA4HMEN1KMT2A
SCHEMBL28897893 0.83 LPAR1 (0.43) L3MBTL1KDM4ETHRATHRBLMNA
SCHEMBL19910481 0.81 KDM4E (0.62) KDM4EALDH1A1LTA4HRAB9AACHE
SCHEMBL2087136 0.77 MAOB (0.64) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL9623610 0.76 LMNA (0.66) ALDH1A1THRATHRBLMNAMAPK1
SCHEMBL2741671 0.75 MCHR1 (0.62) THRATHRBLMNAMAPK1HTT
SCHEMBL2087020 0.75 MEN1 (0.49) KDM4EALDH1A1LTA4HTHRATHRB

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
EP-3065738-B1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
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