SCHEMBL8157355

SCHEMBL8157355

N#Cc1ccc(CO)cc1OCC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.52
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
S1PR1 P21453 3/20 0.39
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL31435351 0.91 AR (0.52) ARS1PR1S1PR3S1PR5RXRA
SCHEMBL31435359 0.91 AR (0.52) ARS1PR1S1PR3S1PR5RXRA
SCHEMBL8149842 0.85 AR (0.38) ARFFAR1FFAR4S1PR1S1PR3
SCHEMBL7656918 0.81 AR (0.51) ARFFAR1FFAR4S1PR1RXRA
SCHEMBL3746625 0.80 FFAR1 (0.49) ARFFAR1FFAR4KDM4EMEN1
SCHEMBL16954928 0.80 AR (0.46) ARFFAR1FFAR4S1PR1S1PR3
SCHEMBL20108197 0.78 AAK1 (0.44) ARS1PR1S1PR3S1PR5KDM4E
SCHEMBL16422592 0.78 AR (0.47) ARKDM4EMEN1USP2ALDH1A1
SCHEMBL18122079 0.78 AR (0.52) ARS1PR1KDM4EMEN1USP2
SCHEMBL15778975 0.76 KDM5A (0.45) S1PR1KDM4EMEN1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6077853-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-06-20 US disclosed
EP-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP disclosed
US-5939439-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-08-17 US disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed