SCHEMBL17301235

SCHEMBL17301235

CCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCC)cc3)c(Cl)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
CASP3 P42574 1/20 0.55
RAB9A P51151 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
THRB P10828 3/20 0.47
KMT2A Q03164 2/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
CNR2 P34972 1/20 0.44
ACACB O00763 4/20 0.44
ALOX5 P09917 1/20 0.43

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
SCHEMBL17301237 0.92 MAPT (0.47) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL17301240 0.90 KMT2A (0.47) MAPTSMN1; SMN2NPC1CASP3RAB9A
Fluoride SCHEMBL9841883 0.85 MAPT (0.52) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL17301222 0.84 MAPT (0.48) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL17304609 0.84 KMT2A (0.53) MAPTNPC1THRBKMT2AKDM4E
SCHEMBL10490544 0.84 SMN1; SMN2 (0.52) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL30354554 0.83 THRB (0.62) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL10633416 0.83 THRB (0.62) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL17301252 0.83 KMT2A (0.58) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL20251192 0.83 MAPT (0.50) MAPTSMN1; SMN2NPC1CASP3RAB9A

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-20150344782-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-12-03 US disclosed