SCHEMBL8962397

SCHEMBL8962397

CCCCCCCCCCC(C)OC(=S)CS(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SOAT1 P35610 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MAPT P10636 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
SCHEMBL8962541 0.76 SOAT1 (0.50) SOAT1
SCHEMBL8962485 0.76 SOAT1 (0.50) SOAT1
SCHEMBL8962495 0.76 SOAT1 (0.50) SOAT1
SCHEMBL8962356 0.76 SOAT1 (0.50) SOAT1
SCHEMBL8962520 0.76 SOAT1 (0.50) SOAT1
SCHEMBL8962453 0.74 MAPT (0.42) KDM4ESOAT1MAPT
SCHEMBL8962396 0.73 KMT2A (0.43) KMT2ASOAT1TRPV1
SCHEMBL8962772 0.71 SOAT1 (0.46) SOAT1
SCHEMBL856209 0.69 CYP3A4 (0.57) KMT2APKM
SCHEMBL9321851 0.67 KMT2A (0.55) KMT2AALDH1A1POLBPKMSMN1; SMN2

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-1996019446-A1 β-CARBOXY SULFONAMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO claimed
US-5491170-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-02-13 US claimed