SCHEMBL9066444

SCHEMBL9066444

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.52
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
SLC1A5 Q15758 1/20 0.38

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
SCHEMBL461801 0.90 SNCA (0.61) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL9505062 0.89 SNCA (0.47) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL175786 0.84 SNCA (0.67) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL9501907 0.84 SNCA (0.50) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL1679462 0.83 LMNA (0.58) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL9717267 0.83 SNCA (0.55) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL2346908 0.83 CYP3A4 (0.61) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL9063776 0.82 SNCA (0.54) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL2582130 0.82 SNCA (0.54) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL27354086 0.82 MEN1 (0.43) CYP3A4ALDH1A1TSHRHSD17B10MEN1

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