SCHEMBL9750841

SCHEMBL9750841

CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccc(F)cc2)cn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.48
SLCO1B1 Q9Y6L6 4/20 0.46
ABCB11 O95342 3/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
NR1I2 O75469 1/20 0.46
RHOC P08134 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
ABCC3 O15438 2/20 0.45
ABCC4 O15439 2/20 0.45
SLCO1B3 Q9NPD5 2/20 0.45
ABCB1 P08183 2/20 0.43
ABCC2 Q92887 1/20 0.43
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL9272851 0.95 HMGCR (0.46) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL9750852 0.87 HMGCR (0.53) HMGCRABCB1RAB9AMEN1KMT2A
SCHEMBL9750967 0.85 HMGCR (0.47) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL9750938 0.80 HMGCR (0.51) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL6871693 0.78 HMGCR (0.64) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL9750808 0.77 HMGCR (0.51) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL21637567 0.77 HMGCR (0.60) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL28671880 0.76 ABCB1 (0.53) ABCB1RAB9ANPC1KDM4EMAPT
SCHEMBL21637575 0.76 HMGCR (0.61) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL23651705 0.76 HMGCR (0.58) HMGCRSLCO1B1ABCB11HDAC1HDAC2

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-5055484-A Anticholesterol and antilipemic agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed