SCHEMBL11266735

SCHEMBL11266735

CCOC(=O)C(C)(C(=O)OCC)c1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
FFAR4 Q5NUL3 3/20 0.40
FFAR1 O14842 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.38
CFTR P13569 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
DDR1 Q08345 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
GPR35 Q9HC97 1/20 0.36
CES2 O00748 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL23070471 0.83 NPSR1 (0.39) NPSR1KDM4ELMNAMAPK1TSHR
SCHEMBL30853648 0.83 TSHR (0.36) ARKDM4ELMNAMAPK1TSHR
SCHEMBL140210 0.83 TSHR (0.36) ARKDM4ELMNAMAPK1TSHR
SCHEMBL11152774 0.80 CYP3A4 (0.42) NPSR1LMNAMAPK1TSHRMAPT
SCHEMBL11278337 0.79 AR (0.48) ARLMNAMAPK1TSHRCES2
SCHEMBL15111388 0.79 CNR1 (0.41) ARFFAR4FFAR1NPSR1MAPK1
SCHEMBL11156490 0.78 POLB (0.37) KDM4ELMNAMAPK1CFTRKCNQ3
SCHEMBL665559 0.76 CYP1A2 (0.53) KDM4ELMNAMAPK1TSHRHTT
SCHEMBL3311471 0.75 LMNA (0.54) KDM4ELMNADDR1NPC1ALDH1A1
SCHEMBL7036366 0.75 SMN1; SMN2 (0.36) NPSR1TSHRCFTRHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337264-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND FUNGICIDES CIBA-GEIGY CORPORATION (US) 1982-06-29 US disclosed
US-4316850-A ANTINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-23 US disclosed
US-4264619-A Tertiary aminoacids CIBA-GEIGY CORPORATION (US) 1981-04-28 US disclosed
US-4163788-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1979-08-07 US disclosed
US-4126691-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed
US-3993763-A ALPHA-(CYCLIC TERTIARY AMINO-PHENYL)-ALIPHATIC ACIDS CIBA-GEIGY CORPORATION (US) 1976-11-23 US disclosed
US-3936467-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1976-02-03 US disclosed