SCHEMBL9999756

SCHEMBL9999756

CCCCCCCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
NR5A1 Q13285 1/20 0.51
PLA2G2A P14555 2/20 0.50
CNR1 P21554 9/20 0.45
CNR2 P34972 8/20 0.45
LTA4H P09960 1/20 0.45
PTGS1 P23219 1/20 0.44
BLM P54132 1/20 0.44
HPN P05981 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL6693439 1.00 CA1 (0.52) CA1CA2NR5A1PLA2G2ACNR1
SCHEMBL1086609 1.00 CA1 (0.52) CA1CA2NR5A1PLA2G2ACNR1
SCHEMBL10990333 0.93 CA2 (0.55) CA1CA2NR5A1PLA2G2ACNR1
SCHEMBL8959243 0.93 CA2 (0.59) CA1CA2PTGS1BLMHPN
SCHEMBL8959195 0.87 CA2 (0.61) CA1CA2PTGS1BLMHPN
SCHEMBL768405 0.85 CNR1 (0.54) NR5A1CNR1CNR2
SCHEMBL768406 0.85 NR5A1 (0.47) NR5A1PLA2G2ACNR1CNR2LTA4H
SCHEMBL8959175 0.85 CA2 (0.63) CA1CA2PTGS1BLMHPN
SCHEMBL15064805 0.85 CA2 (0.46) CA1CA2NR5A1PLA2G2ACNR1
SCHEMBL7352200 0.85 CA2 (0.50) CA1CA2PLA2G2ABLMHPN

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045682-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2015-06-02 US disclosed
US-8703013-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2014-04-22 US disclosed
US-20130248761-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
US-20130234066-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-09-12 US disclosed
US-8524117-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2013-09-03 US disclosed
US-20130187092-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-25 US disclosed
US-8454858-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2013-06-04 US disclosed
US-20120161073-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-06-28 US disclosed
US-20100176341-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-15 US disclosed