SCHEMBL8310592

SCHEMBL8310592

CC(C)C(=O)N[C@@H](C)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 1/20 0.56
KDM4E B2RXH2 1/20 0.55
KMT2A Q03164 4/20 0.54
LMNA P02545 1/20 0.54
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL12393640 1.00 HTT (0.60) HTTALDH1A1NPC1KDM4EKMT2A
SCHEMBL19652074 1.00 HTT (0.60) HTTALDH1A1NPC1KDM4EKMT2A
SCHEMBL12380257 0.85 POLB (0.49) HTTALDH1A1NPC1KDM4EKMT2A
SCHEMBL26078974 0.84 ACACB (0.50) KMT2APOLBACACBACACAMEN1
SCHEMBL23000164 0.82 HTT (0.62) HTTALDH1A1NPC1KDM4EKMT2A
SCHEMBL4451432 0.82 HTT (0.62) HTTALDH1A1NPC1KDM4EKMT2A
SCHEMBL1617024 0.82 HTT (0.62) HTTALDH1A1NPC1KDM4EKMT2A
SCHEMBL4322956 0.82 HTT (0.62) HTTALDH1A1NPC1KDM4EKMT2A
SCHEMBL6174378 0.82 HTT (0.62) HTTALDH1A1NPC1KDM4EKMT2A
SCHEMBL1615756 0.82 HTT (0.62) HTTALDH1A1NPC1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 WO disclosed