SCHEMBL9508561

SCHEMBL9508561

CCCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.84
TP53 P04637 1/20 0.76
TSHR P16473 1/20 0.76
PLA2G4B P0C869 7/20 0.74
NPC1 O15118 3/20 0.67
LMNA P02545 2/20 0.67
NFKB1 P19838 2/20 0.67
NFKB2 Q00653 2/20 0.67
RELA Q04206 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
PLA2G4A P47712 1/20 0.67
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
PTPN11 Q06124 1/20 0.62
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58

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
SCHEMBL9512224 1.00 RARB (0.84) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL8970588 1.00 RARB (0.84) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL8970196 1.00 RARB (0.84) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL9128354 0.96 TP53 (0.82) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL5364776 0.96 TP53 (0.82) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL304398 0.96 TP53 (0.82) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL9665666 0.96 TP53 (0.82) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL302564 0.96 TP53 (0.82) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL14262242 0.96 TP53 (0.82) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL5233946 0.96 TP53 (0.82) RARBTP53TSHRPLA2G4BNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297554-B1 LIQUID-CRYSTALLINE POLYMER COMPOSITION IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-09-22 EP claimed
EP-0297554-B1 LIQUID-CRYSTALLINE POLYMER COMPOSITION IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-09-22 EP disclosed