Sugi Predict

Sugi Predict / Compounds / SCHEMBL8941187

SCHEMBL8941187

SCHEMBL8941187

CC(C)c1cccc(C(C)C)c1OS(=O)(=O)CC(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ SOAT2 O75908 1/20 0.47
▸ MYC P01106 1/20 0.47
▸ SOAT1 P35610 1/20 0.47
▸ MAP2K3 P46734 1/20 0.47

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
SCHEMBL8941260 0.90 SOAT2 (0.48) TSHRSOAT2MYCSOAT1MAP2K3
SCHEMBL8941146 0.80 SOAT2 (0.47) SOAT2MYCSOAT1MAP2K3
SCHEMBL8941392 0.79 SMN1; SMN2 (0.56) SOAT2MYCSOAT1MAP2K3
SCHEMBL8962577 0.79 TSHR (0.46) TSHRSOAT2SOAT1
SCHEMBL8941512 0.76 SOAT2 (0.46) SOAT2MYCSOAT1MAP2K3
SCHEMBL8941381 0.74 SOAT1 (0.55) SOAT2MYCSOAT1MAP2K3
SCHEMBL8941313 0.74 SMN1; SMN2 (0.47) SOAT2MYCSOAT1MAP2K3
SCHEMBL9844414 0.72 SOAT1 (0.58) TSHRSOAT2SOAT1
SCHEMBL8121753 0.71 TSHR (0.55) TSHR
SCHEMBL8941167 0.71 SOAT2 (0.41) SOAT2MYCSOAT1MAP2K3

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 3 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 claimed
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