SCHEMBL7640468

SCHEMBL7640468

CC1=NN(CCCCC[S+]([O-])c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C(C)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SOAT1 P35610 11/20 0.36
ACAT1 P24752 1/20 0.36
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL7640471 1.00 KDM4E (0.36) KDM4EHPGDSMN1; SMN2SOAT1ACAT1
SCHEMBL9565792 0.75 SOAT1 (0.63) KDM4EHPGDSMN1; SMN2SOAT1ACAT1
SCHEMBL3378259 0.75 SOAT1 (0.63) KDM4EHPGDSMN1; SMN2SOAT1ACAT1
SCHEMBL29972770 0.75 SOAT1 (0.63) KDM4EHPGDSMN1; SMN2SOAT1ACAT1
SCHEMBL9525341 0.72 SOAT1 (0.47) SOAT1ACAT1
SCHEMBL9597124 0.71 SOAT1 (0.48) SOAT1ACAT1
SCHEMBL9214981 0.71 SOAT1 (0.33) KDM4EHPGDSMN1; SMN2SOAT1ACAT1
SCHEMBL9214975 0.71 SOAT1 (0.33) KDM4EHPGDSMN1; SMN2SOAT1ACAT1
SCHEMBL11410845 0.63 ESR1 (0.45) KDM4EHPGDSMN1; SMN2
SCHEMBL10963408 0.62 KDM4E (0.40) KDM4EHPGDSMN1; SMN2PTGS1PTGS2

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-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP disclosed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO disclosed