SCHEMBL5808019

SCHEMBL5808019

CC(C)c1[nH]c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)Nc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.44
HMGCR P04035 5/20 0.43
SLCO1B1 Q9Y6L6 4/20 0.42
ABCB11 O95342 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
NR1I2 O75469 1/20 0.42
RHOC P08134 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
ESRRG P62508 1/20 0.41
ABCC3 O15438 2/20 0.41
ABCC4 O15439 2/20 0.41
SLCO1B3 Q9NPD5 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL5804849 0.96 SLCO1B1 (0.45) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL4169210 0.93 HMGCR (0.47) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5807727 0.92 HMGCR (0.46) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5805034 0.88 MAPK14 (0.44) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5805346 0.87 HMGCR (0.43) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5806553 0.87 HMGCR (0.43) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5805083 0.86 EGFR (0.47) MEN1POLBKMT2ATDP1MAPT
SCHEMBL5804980 0.85 ATR (0.45) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5808829 0.82 NPC1 (0.41) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5804950 0.82 KDR (0.42) 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
WO-2006110918-A1 PYRROLE COMPOUNDS AND USES THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2006-10-19 WO claimed