SCHEMBL9259677

SCHEMBL9259677

CC(C)(C)c1ccc(CC(O)=S)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 2/20 0.38
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 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
SCHEMBL1447610 0.79 KLF10 (0.47) CYP2C19CYP1A2ALDH1A1HPGDALOX15
SCHEMBL9259675 0.79 CYP2C19 (0.43) CYP2C19CYP1A2ALDH1A1HPGDALOX15
SCHEMBL9250696 0.78 CYP1A2 (0.42) CYP2C19CYP1A2ALDH1A1HPGDALOX15
SCHEMBL20099494 0.77 ALDH1A1 (0.44) CYP2C19CYP1A2ALDH1A1HPGDALOX15
SCHEMBL10442609 0.77 CYP1A2 (0.47) CYP2C19CYP1A2ALDH1A1HPGDALOX15
SCHEMBL2582081 0.77 CYP2C19 (0.47) CYP2C19CYP1A2ALDH1A1HPGDALOX15
SCHEMBL944498 0.75 CYP2C19 (0.46) CYP2C19CYP1A2ALDH1A1HPGDALOX15
SCHEMBL14472398 0.75 LMNA (0.47) CYP2C19CYP1A2ALDH1A1ALOX15HSD17B10
SCHEMBL6712753 0.73 CYP2C19 (0.44) CYP2C19CYP1A2ALDH1A1HPGDALOX15
SCHEMBL28125192 0.73 CYP1A2 (0.44) CYP2C19CYP1A2ALDH1A1HPGDALOX15

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
US-5405873-A Antilipemic, anticholesterol agents; treating arterio-sclerosis BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-04-11 US disclosed
EP-0587430-A1 Substituted acetamide derivatives for treatment of hypocholesterolaemia, hyperlipaemia and arteriosclerosis BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-03-16 EP disclosed