SCHEMBL10778564

SCHEMBL10778564

CCCCCCCCCOc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
TSHR P16473 1/20 0.59
CACNA1B Q00975 3/20 0.56
CYP2D6 P10635 2/20 0.56
FAAH O00519 2/20 0.55
PTGES O14684 1/20 0.54
ALOX5 P09917 1/20 0.54
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
HTT P42858 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
SMPD1 P17405 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
GGPS1 O95749 1/20 0.50

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
SCHEMBL22221774 0.98 L3MBTL1 (0.64) L3MBTL1TSHRCACNA1BCYP2D6FAAH
SCHEMBL2429378 0.93 L3MBTL1 (0.66) L3MBTL1CACNA1BCYP2D6FAAHPTGES
SCHEMBL171811 0.88 L3MBTL1 (0.68) L3MBTL1FAAHPTGESALOX5PPARG
SCHEMBL2091178 0.84 L3MBTL1 (0.55) L3MBTL1HTTUSP2LMNAALDH1A1
SCHEMBL9215275 0.84 L3MBTL1 (0.55) L3MBTL1PTGESALOX5PPARGPPARA
SCHEMBL7774045 0.84 L3MBTL1 (0.55) L3MBTL1HTTUSP2LMNAALDH1A1
SCHEMBL2091175 0.84 L3MBTL1 (0.55) L3MBTL1HTTUSP2LMNAALDH1A1
SCHEMBL20267505 0.83 L3MBTL1 (0.58) L3MBTL1TSHRCACNA1BCYP2D6HTT
SCHEMBL7199882 0.83 L3MBTL1 (0.57) L3MBTL1HTTUSP2LMNAALDH1A1
SCHEMBL4208924 0.82 TSHR (0.76) TSHRSMPD1GGPS1

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
US-4648996-A ANTIRHEUMATIC AGENTS, IMMUNOSUPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1987-03-10 US disclosed