SCHEMBL9874737

SCHEMBL9874737

CCCCCCCC1COC(c2ccc(C(=O)O)cc2)OC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
RARB P10826 8/20 0.43
PLA2G4B P0C869 5/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RARA P10276 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PLA2G4A P47712 1/20 0.40

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
SCHEMBL9358344 1.00 TP53 (0.44) TP53TSHRRARBPLA2G4BMEN1
SCHEMBL9874731 1.00 TP53 (0.44) TP53TSHRRARBPLA2G4BMEN1
SCHEMBL8746436 1.00 TP53 (0.44) TP53TSHRRARBPLA2G4BMEN1
SCHEMBL5684559 1.00 TP53 (0.44) TP53TSHRRARBPLA2G4BMEN1
SCHEMBL9358359 0.99 RARB (0.42) TP53TSHRRARBPLA2G4BMEN1
SCHEMBL8746433 0.99 RARB (0.42) TP53TSHRRARBPLA2G4BMEN1
Hydrochloric Acid SCHEMBL10973136 0.97 RARB (0.41) TP53TSHRRARBPLA2G4BMEN1
Hydrochloric Acid SCHEMBL10973153 0.97 RARB (0.41) TP53TSHRRARBPLA2G4BMEN1
SCHEMBL9578525 0.94 RARB (0.41) TP53TSHRRARBPLA2G4BMEN1
SCHEMBL9631107 0.88 THRA (0.42) ALDH1A1MAPTTHRATHRB

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-5053507-A Liquid crystal dopants ARAKAWA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-10-01 US disclosed