SCHEMBL20904616

SCHEMBL20904616

CCCS(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.45
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ PCSK9 Q8NBP7 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 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
SCHEMBL2839087 0.85 TDP1 (0.47) PSIP1TDP1SMN1; SMN2HSD11B1ALDH1A1
SCHEMBL3421644 0.83 HTR6 (0.45) PSIP1TDP1PKMSMN1; SMN2SIRT2
SCHEMBL27943041 0.81 TDP1 (0.44) PSIP1TDP1PKMSMN1; SMN2TP53
SCHEMBL1286162 0.81 TDP1 (0.44) PSIP1TDP1PKMSMN1; SMN2TP53
SCHEMBL28376769 0.81 TDP1 (0.44) PSIP1TDP1PKMSMN1; SMN2TP53
SCHEMBL4618662 0.78 PSIP1 (0.59) PSIP1TDP1SMN1; SMN2TP53HSD11B1
SCHEMBL23239464 0.77 PSIP1 (0.46) PSIP1TDP1GAAPKMSMN1; SMN2
SCHEMBL21186462 0.77 PSIP1 (0.46) PSIP1TDP1GAAPKMSMN1; SMN2
SCHEMBL27348634 0.77 MEN1 (0.38) PSIP1TDP1GAAALDH1A1GLA
SCHEMBL29207385 0.76 HTR6 (0.39) PSIP1TDP1PKMSMN1; SMN2SIRT2

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
WO-2019073431-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREMILAST AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2019-04-18 — — WO disclosed
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