SCHEMBL8941659

SCHEMBL8941659

CCCCCCCCCCCC(C)C(=S)CS(=O)(=O)Oc1c(C(C)C)cc(C(C)C)cc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.35
SOAT2 O75908 1/20 0.35
MYC P01106 1/20 0.35
MAP2K3 P46734 1/20 0.35
RXRA P19793 2/20 0.35
PPARG P37231 2/20 0.35
RARG P13631 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35

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
SCHEMBL8941658 0.77 FABP3 (0.40) SOAT1FABP3FABP4FABP5
SCHEMBL8941282 0.73 SOAT2 (0.46) SOAT1SOAT2MYCMAP2K3RXRA
SCHEMBL9059246 0.68 RXRA (0.32) SOAT1SOAT2MYCMAP2K3RXRA
SCHEMBL14015388 0.66 FABP4 (0.58) SOAT1SOAT2MYCMAP2K3FABP3
SCHEMBL8941381 0.64 SOAT1 (0.55) SOAT1SOAT2MYCMAP2K3
SCHEMBL2456678 0.64 FABP4 (0.50) SOAT1SOAT2MYCMAP2K3FABP3
SCHEMBL17179591 0.63 FABP4 (0.55) SOAT1SOAT2MYCMAP2K3FABP3
SCHEMBL8495954 0.63 FABP4 (0.48) SOAT1SOAT2MYCMAP2K3FABP3
SCHEMBL6908862 0.63 RXRA (0.56) RXRAPPARGRARGRARARARB
SCHEMBL4586960 0.63 RXRA (0.56) RXRAPPARGRARGRARARARB

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
WO-1996019444-A1 SULFONATE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO disclosed
US-5510379-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-04-23 US disclosed