SCHEMBL4748948

SCHEMBL4748948

CCCCCCOc1ccc2cc(B(O)O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.51
THRA P10827 1/20 0.50
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
LPL P06858 4/20 0.46
LIPG Q9Y5X9 4/20 0.46
TRPV1 Q8NER1 1/20 0.46
MGLL Q99685 1/20 0.46
PLA2G4B P0C869 1/20 0.45
LTA4H P09960 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL4748959 1.00 NR5A1 (0.51) NR5A1THRATSHRTP53LPL
SCHEMBL8505542 1.00 NR5A1 (0.51) NR5A1THRATSHRTP53LPL
SCHEMBL29954116 0.98 NR5A1 (0.49) NR5A1THRATSHRTP53LPL
SCHEMBL4084548 0.95 CA1 (0.48) NR5A1THRALPLLIPGTRPV1
SCHEMBL8705732 0.85 NR5A1 (0.65) NR5A1TSHRTP53LPLLIPG
SCHEMBL2354047 0.85 NR5A1 (0.65) NR5A1TSHRTP53LPLLIPG
SCHEMBL7610345 0.85 NR5A1 (0.65) NR5A1TSHRTP53LPLLIPG
SCHEMBL7472946 0.85 NR5A1 (0.65) NR5A1TSHRTP53LPLLIPG
SCHEMBL2401172 0.85 NR5A1 (0.65) NR5A1TSHRTP53LPLLIPG
SCHEMBL8208913 0.85 NR5A1 (0.65) NR5A1TSHRTP53LPLLIPG

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
WO-2008120839-A1 NOVEL ORGANIC SEMICONDUCTOR COMPOUND, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME GYEONGSANG NATIONAL UNIVERSITY INDUSTRIAL AND ACADEMIC COLLABORATION FOUNDATION (KR) 2008-10-09 WO disclosed