SCHEMBL17150360

SCHEMBL17150360

CCCc1ccc(C#Cc2ccc(OC(=O)c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
THRB P10828 3/20 0.52
KMT2A Q03164 2/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
ESR1 P03372 3/20 0.48
ESR2 Q92731 1/20 0.48
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL8904775 0.94 THRB (0.56) MAPTSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL4059175 0.92 MAPT (0.62) MAPTSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL14399793 0.92 MAPT (0.62) MAPTSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL4063764 0.92 MAPT (0.62) MAPTSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL8905556 0.89 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL8904371 0.89 THRB (0.65) MAPTSMN1; SMN2THRBKMT2APLA2G1B
SCHEMBL9333023 0.89 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL8903130 0.88 MAPT (0.51) MAPTSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL8903841 0.88 MAPT (0.51) MAPTSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL9333432 0.88 MAPT (0.51) MAPTSMN1; SMN2NPC1RAB9ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284636-A1 LIQUID-CRYSTALLINE MEDIUM AND ELECTRO-OPTICAL LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-10-08 US disclosed