SCHEMBL5508047

SCHEMBL5508047

CCc1ccc(F)c(CNC(=O)C(O)(c2ccccc2)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.44
SUCNR1 Q9BXA5 1/20 0.41
CETP P11597 1/20 0.40
BDKRB1 P46663 4/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5519482 1.00 RIPK1 (0.44) RIPK1SUCNR1CETPBDKRB1RAB9A
SCHEMBL582810 1.00 RIPK1 (0.44) RIPK1SUCNR1CETPBDKRB1RAB9A
SCHEMBL27688257 0.85 RIPK1 (0.45) RIPK1BDKRB1RAB9ANPC1GAA
SCHEMBL5513992 0.84 KMT2A (0.46) RIPK1SUCNR1CETPMEN1KMT2A
SCHEMBL582729 0.84 P2RX7 (0.43) RIPK1SUCNR1CETPMEN1KMT2A
SCHEMBL582826 0.84 KMT2A (0.46) RIPK1SUCNR1CETPMEN1KMT2A
SCHEMBL5517336 0.84 P2RX7 (0.43) RIPK1SUCNR1CETPMEN1KMT2A
SCHEMBL5517353 0.84 KMT2A (0.46) RIPK1SUCNR1CETPMEN1KMT2A
SCHEMBL5509355 0.84 P2RX7 (0.43) RIPK1SUCNR1CETPMEN1KMT2A
SCHEMBL5524961 0.83 AKR1B1 (0.42) RIPK1SUCNR1CETPRAB9ANPC1

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-7268153-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO., INC. (US) 2007-09-11 US claimed