SCHEMBL8577606

SCHEMBL8577606

CCCc1cccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
P2RX7 Q99572 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 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
SCHEMBL8673587 0.93 POLB (0.41) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL8483124 0.92 POLB (0.45) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL8574722 0.87 POLB (0.37) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL17729935 0.85 POLB (0.38) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL8575130 0.83 POLB (0.34) POLBKMT2AMAPT
SCHEMBL8576822 0.83 MTTP (0.48)
SCHEMBL8576794 0.82 MTTP (0.43) POLB
SCHEMBL8573811 0.82 MTTP (0.54)
SCHEMBL8571807 0.81 MTTP (0.53)
SCHEMBL4597996 0.81 HDAC3 (0.56) POLBHDAC3HDAC4HDAC7HDAC8

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-5760246-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB COMPANY 1998-06-02 US disclosed