SCHEMBL822316

SCHEMBL822316

Cc1cc(C(C)(c2ccc(O)c(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)c2)C(F)(F)F)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
ESR2 Q92731 3/20 0.40
NR1H3 Q13133 3/20 0.38
NR1H2 P55055 2/20 0.38
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
TYMS P04818 1/20 0.36
HSP90AA1 P07900 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL13966982 0.96 ESR1 (0.38) ESR1ESR2NR1H3NR1H2CA9
SCHEMBL13966981 0.92 BRD4 (0.38) ESR1ESR2NR1H3NR1H2TYMS
SCHEMBL15460391 0.91 APP (0.39) ESR1ESR2NR1H3NR1H2CA9
SCHEMBL2622758 0.90 ESR1 (0.41) ESR1ESR2NR1H3NR1H2CA9
SCHEMBL9891724 0.88 ESR1 (0.43) ESR1ESR2NR1H3NR1H2CA9
SCHEMBL17914270 0.85 ESR1 (0.40) ESR1ESR2NR1H3NR1H2CA9
SCHEMBL17429472 0.84 NPSR1 (0.34) ESR1ESR2CA9CA12CA1
SCHEMBL27250012 0.83 TYMS (0.44) ESR1ESR2NR1H3NR1H2TYMS
SCHEMBL26799280 0.83 NR1H3 (0.36) ESR1ESR2NR1H3NR1H2CA9
SCHEMBL13292495 0.82 BRD4 (0.38) ESR1ESR2NR1H3NR1H2TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160111698-A1 SEPARATOR FOR LITHIUM SECONDARY BATTERY AND METHOD FOR MANUFACTURING SAME IUCF HYU (KR) 2016-04-21 US disclosed
US-8926733-B2 Polymers, polymer membranes and methods of producing the same AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-01-06 US disclosed
US-8753426-B2 Polymers, polymer membranes and methods of producing the same AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-06-17 US disclosed
US-20140033918-A1 Polymers, Polymer Membranes And Methods Of Producing The Same AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-02-06 US disclosed
US-20130115519-A1 SEPARATOR FOR LITHIUM SECONDARY BATTERY AND METHOD FOR MANUFACTURING SAME ICUF-HYU (Industry-University Cooperation Foundati Hanyang Unversity (KR) 2013-05-09 US disclosed
US-20130047844-A1 POLYMERS, POLYMER MEMBRANES AND METHODS OF PRODUCING THE SAME AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-02-28 US disclosed
US-20110269857-A1 POLYMER AND METHOD OF PREPARING THE SAME INDUSTRY-UNIVERSITY COOPERATION FOUNDATION, HANYANG UNIVERSITY (KR) 2011-11-03 US disclosed