SCHEMBL12468489

SCHEMBL12468489

CCC1(CC)COC(c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)OC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.34
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
WRN Q14191 1/20 0.30

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
SCHEMBL12468567 0.83 SOAT1 (0.34) SOAT1
SCHEMBL12468550 0.82 WRN (0.35) SOAT1KDM4ETDP1WRN
SCHEMBL12468387 0.81 DPP4 (0.44) SOAT1KDM4E
SCHEMBL12687044 0.75 ALDH1A1 (0.31) KDM4ETDP1
SCHEMBL14907591 0.72 RAB9A (0.36) SOAT1KDM4ETDP1WRN
SCHEMBL1680604 0.66 ALDH1A1 (0.40) KDM4ETDP1
SCHEMBL12468484 0.65 SMN1; SMN2 (0.33) SOAT1
SCHEMBL2767967 0.65 DPP4 (0.38) KDM4ETDP1WRN
SCHEMBL5453288 0.65 SNCA (0.48) KDM4EWRN
SCHEMBL5889177 0.65 SNCA (0.48) KDM4EWRN

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
WO-2012049167-A1 NOVEL OLIGOTHIOPHENE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USES UNIVERSITE DE LA MEDITERRANEE AIX-MARSEILLE II (FR) 2012-04-19 WO disclosed