SCHEMBL12464026

SCHEMBL12464026

CO[C@H]1CC(=O)O[C@H](CCn2c(-c3ccc(F)cc3)c(-c3ccccc3)c(C(=O)Nc3ccccc3)c2C(C)C)C1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 4/20 0.83
▸ HMGCR P04035 3/20 0.83
▸ ABCB1 P08183 1/20 0.83
▸ ABCC2 Q92887 1/20 0.83
▸ ABCB11 O95342 3/20 0.55
▸ HDAC1 Q13547 2/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ RHOC P08134 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ NR1H4 Q96RI1 1/20 0.55
▸ ABCG2 Q9UNQ0 1/20 0.55
▸ ABCC3 O15438 2/20 0.54
▸ ABCC4 O15439 2/20 0.54
▸ SLCO1B3 Q9NPD5 2/20 0.54
▸ PDE6D O43924 1/20 0.52

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
SCHEMBL13316782 0.94 SLCO1B1 (0.83) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL10024049 0.93 SLCO1B1 (0.82) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL17704836 0.93 SLCO1B1 (0.82) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL12507372 0.93 SLCO1B1 (0.82) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL17704842 0.93 SLCO1B1 (0.81) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL17704920 0.93 SLCO1B1 (0.81) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL917393 0.92 SLCO1B1 (0.80) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL5607502 0.92 SLCO1B1 (0.80) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL12415506 0.92 SLCO1B1 (0.80) SLCO1B1HMGCRABCB1ABCC2ABCB11
SCHEMBL14414154 0.91 SLCO1B1 (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3064272-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS Zannan Scitech Co., Ltd. (CN) 2016-09-07 — — EP disclosed
US-20140080984-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS ZANNA SCITECH CO., LTD. (CN) 2014-03-20 — — US disclosed
WO-2011079799-A1 HIGHLY ACTIVE METATHESIS CATALYSIS SELECTIVE FOR ROMP AND RCM ZANNAN SCITECH CO., LTD. (CN) 2011-07-07 — — WO disclosed
WO-2011079439-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS ZANNAN SCITECH CO., LTD. (CN) 2011-07-07 — — WO disclosed
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