SCHEMBL9065792

SCHEMBL9065792

C=CCOC(=O)c1ccc(-c2ccc(-c3ccc(OCCCCC)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.60
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 1/20 0.52
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
STS P08842 6/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL10447466 0.99 RARB (0.63) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL6256903 0.86 ALDH1A1 (0.63) TP53TSHRNPC1LMNACYP1A2
SCHEMBL8411319 0.85 RARB (0.73) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL9139675 0.85 RARB (0.73) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL13527301 0.85 RARB (0.68) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL25953790 0.85 RARB (0.73) RARBTP53TSHRPLA2G4BNPC1
SCHEMBL3941361 0.85 LMNA (0.57) TSHRLMNACYP1A2CYP3A4CYP2D6
SCHEMBL9288915 0.84 ADRB2 (0.55) TSHRNPC1CYP3A4SMN1; SMN2
SCHEMBL11875502 0.84 MAPT (0.56) TSHRNPC1LMNACYP3A4SMN1; SMN2
SCHEMBL5349735 0.83 RARB (0.71) 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
US-5494605-A FERROELECTRIC, CHEMICALLY STABLE WITH WIDE TEMPERATURE RANGE KANTO KAGAKU KABUSHIKI KAISHA (JP) 1996-02-27 US disclosed
EP-0360043-B1 p-Terphenyl derivatives and liquid crystalline compositions KANTO KAGAKU (JP) 1994-11-09 EP disclosed