SCHEMBL171971

SCHEMBL171971

CCC(=O)Cc1ccccc1SC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ ACHE P22303 1/20 0.39
▸ IAPP P10997 1/20 0.39
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP12 P39900 2/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL12419024 0.83 CA12 (0.55) CA12CA1CA2CA4CA7
SCHEMBL21100152 0.79 IAPP (0.46) IAPPGABRA1GABRB2HSD11B1SMN1; SMN2
SCHEMBL10585673 0.79 CA12 (0.50) CA12CA1CA2CA4CA7
SCHEMBL11274785 0.77 CA12 (0.45) CA12CA1CA2CA4CA7
SCHEMBL26564933 0.76 L3MBTL1 (0.47) IAPPGABRA1GABRB2HSD11B1LMNA
SCHEMBL29210932 0.75 GABRA1 (0.44) IAPPGABRA1GABRB2HSD11B1PTGS2
SCHEMBL3110101 0.72 CA12 (0.51) CA12CA1CA2CA4CA7
SCHEMBL156141 0.72 AKR1B1 (0.63) CA12CA2IAPPGABRA1GABRB2
SCHEMBL30610413 0.72 AKR1B1 (0.63) CA12CA2IAPPGABRA1GABRB2
SCHEMBL363774 0.72 CTBP2 (0.53) HPGDPTGS2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998741-B1 SKIN LIGHTENING AGENTS, COMPOSITIONS AND METHODS UNILEVER PLC (GB) 2012-03-07 — — EP disclosed
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