SCHEMBL15965481

SCHEMBL15965481

COCCOc1ccc(C2(C)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.39
HPGD P15428 4/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
AR P10275 2/20 0.34
S1PR1 P21453 1/20 0.34
ADRB2 P07550 1/20 0.33
KCNN4 O15554 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
ANO2 Q9NQ90 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15965465 0.96 AR (0.37) L3MBTL1HPGDTSHRMAPK1ESR1
SCHEMBL15965480 0.96 AR (0.37) L3MBTL1HPGDTSHRMAPK1ESR1
SCHEMBL29317741 0.88 ESR1 (0.52) L3MBTL1HPGDTSHRMAPK1ESR1
SCHEMBL15965468 0.81 L3MBTL1 (0.35) L3MBTL1HPGDTSHRMAPK1ESR1
SCHEMBL15966201 0.81 PTPN11 (0.45) TSHRMAPK1RAB9ANPC1GAA
SCHEMBL15966202 0.80 MAPT (0.33) L3MBTL1HPGDMAPK1MAPTAR
SCHEMBL15965471 0.79 PDK2 (0.35) L3MBTL1HPGDTSHRMAPK1ESR1
SCHEMBL15965470 0.78 HTR1A (0.36) L3MBTL1HPGDTSHRMAPK1ESR1
SCHEMBL15965469 0.78 HTR1A (0.36) L3MBTL1HPGDTSHRMAPK1ESR1
SCHEMBL15965473 0.77 HTR1A (0.35) L3MBTL1HPGDTSHRMAPK1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9520569-B2 Aryl compounds for application in a highly polar solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-13 US disclosed
US-20140231717-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed