SCHEMBL10448679

SCHEMBL10448679

CCCCCCCCOc1ccc(C(=O)OC2(O)C=CC(c3ccccc3)C=C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PLA2G4B P0C869 6/20 0.50
RARB P10826 3/20 0.48
PLA2G4A P47712 1/20 0.46
PLK1 P53350 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
FAAH O00519 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
SCHEMBL10345694 0.87 TP53 (0.46) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10573627 0.81 TP53 (0.42) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10973192 0.80 TP53 (0.42) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10445846 0.80 NR5A1 (0.45) TP53TSHRPLA2G4BFAAH
SCHEMBL8969958 0.80 FAAH (0.50) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9842927 0.78 CES2 (0.40)
SCHEMBL10449056 0.77 PPARG (0.42) TP53TSHRLMNA
SCHEMBL21224652 0.77 PPARG (0.42) TP53TSHRLMNA
SCHEMBL7845911 0.73 NPC1 (0.72) TP53TSHRPLA2G4BRARBNFKB1
SCHEMBL10524079 0.73 NPC1 (0.72) TP53TSHRPLA2G4BRARBNFKB1

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
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed