SCHEMBL5607435

SCHEMBL5607435

CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(O)O1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLCO1B1 Q9Y6L6 4/20 0.79
HMGCR P04035 4/20 0.79
ABCB1 P08183 1/20 0.79
ABCC2 Q92887 1/20 0.79
ABCB11 O95342 3/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
NR1I2 O75469 1/20 0.59
RHOC P08134 1/20 0.59
CYP3A4 P08684 1/20 0.59
THRB P10828 1/20 0.59
NR1H4 Q96RI1 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.59
ABCC3 O15438 2/20 0.57
ABCC4 O15439 2/20 0.57
SLCO1B3 Q9NPD5 2/20 0.57
PDE6D O43924 3/20 0.55

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
SCHEMBL14414147 1.00 SLCO1B1 (0.79) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL14414151 0.93 SLCO1B1 (0.78) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL14424499 0.93 SLCO1B1 (0.78) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL5607742 0.91 SLCO1B1 (0.74) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL10054752 0.91 SLCO1B1 (0.74) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL12210219 0.89 SLCO1B1 (0.75) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL14414149 0.89 SLCO1B1 (0.80) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL10018612 0.89 SLCO1B1 (0.75) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL15384628 0.89 SLCO1B1 (0.72) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL5607092 0.88 SLCO1B1 (0.66) SLCO1B1HMGCRABCB1ABCC2ABCB11

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
WO-2007107276-A2 PROCESS FOR PREPARING C7 INTERMEDIATES AND THEIR USE IN THE PREPARATION OF N-SUBSTITUTED PYRROLE DERIVATIVES RATIOPHARM GMBH (DE) 2007-09-27 WO disclosed
EP-1834944-A1 Process for preparing C7 intermediates and their use in the preparation on N-substituted pyrrole derivatives Ratiopharm GmbH (DE) 2007-09-19 EP disclosed
EP-1834944-A1 Process for preparing C7 intermediates and their use in the preparation on N-substituted pyrrole derivatives Ratiopharm GmbH (DE) 2007-09-19 EP disclosed