SCHEMBL10153418

SCHEMBL10153418

CCCCCCCCCCOc1c(C)ccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
KDM4E B2RXH2 1/20 0.40
TLR4 O00206 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
LTA4H P09960 3/20 0.39
PLA2G4B P0C869 1/20 0.39
ESR1 P03372 2/20 0.38

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
SCHEMBL8297104 0.92 ALDH1A1 (0.44) NR5A1ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL862289 0.90 NR5A1 (0.48) NR5A1ALDH1A1THRATHRBKDM4E
SCHEMBL18103308 0.90 NR5A1 (0.48) NR5A1ALDH1A1THRATHRBKDM4E
SCHEMBL10153439 0.85 NR5A1 (0.40) NR5A1ALDH1A1THRATHRBKDM4E
SCHEMBL14430044 0.85 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2KDM4ETLR4
SCHEMBL27492864 0.85 ALDH1A1 (0.46) NR5A1ALDH1A1HTTSMN1; SMN2THRA
SCHEMBL862609 0.84 NR5A1 (0.44) NR5A1ALDH1A1THRATHRBKDM4E
SCHEMBL13377572 0.84 NR5A1 (0.44) NR5A1ALDH1A1THRATHRBKDM4E
SCHEMBL4746675 0.82 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2THRATHRB
SCHEMBL2713101 0.82 ALDH1A1 (0.57) NR5A1ALDH1A1THRATHRBKDM4E

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-20120008068-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed