SCHEMBL9629288

SCHEMBL9629288

O=C(O)c1ccc(OC(=O)c2ccc(OCCCCCCCCCCCCBr)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
PLA2G4B P0C869 6/20 0.59
RARB P10826 3/20 0.56
HTT P42858 3/20 0.56
NPC1 O15118 2/20 0.55
LMNA P02545 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PKM P14618 1/20 0.54
PLA2G4A P47712 1/20 0.54
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL10698856 0.96 RARB (0.63) TP53TSHRPLA2G4BRARBHTT
SCHEMBL25867852 0.94 LMNA (0.60) TP53TSHRPLA2G4BNPC1LMNA
SCHEMBL303109 0.91 TP53 (0.72) TP53TSHRPLA2G4BRARBHTT
SCHEMBL9666009 0.91 TP53 (0.72) TP53TSHRPLA2G4BRARBHTT
SCHEMBL303140 0.91 TP53 (0.72) TP53TSHRPLA2G4BRARBHTT
SCHEMBL4743266 0.91 TP53 (0.72) TP53TSHRPLA2G4BRARBHTT
SCHEMBL5477923 0.91 TP53 (0.72) TP53TSHRPLA2G4BRARBHTT
SCHEMBL5096607 0.91 TP53 (0.72) TP53TSHRPLA2G4BRARBHTT
SCHEMBL5482659 0.89 TP53 (0.69) TP53TSHRPLA2G4BRARBHTT
SCHEMBL5485389 0.87 NPC1 (0.72) TP53TSHRPLA2G4BRARBNPC1

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-0258898-B1 LIQUID-CRYSTALLINE POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-04-22 EP disclosed