SCHEMBL28042575

SCHEMBL28042575

CCCCCCCCCCC(=O)OC(=O)CC(C(=O)OCCN)S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
DGKA P23743 1/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
CNR1 P21554 1/20 0.41
LMNA P02545 4/20 0.38
DNM1 Q05193 1/20 0.38
PAM P19021 2/20 0.37
KDM4E B2RXH2 1/20 0.37
DUSP3 P51452 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2C P28335 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL27610419 1.00 RECQL (0.43) RECQLDGKAMAPTALDH1A1THRB
SCHEMBL27696568 1.00 RECQL (0.43) RECQLDGKAMAPTALDH1A1THRB
SCHEMBL28042605 1.00 RECQL (0.43) RECQLDGKAMAPTALDH1A1THRB
SCHEMBL27766943 0.93 ALDH1A1 (0.53) DGKAMAPTALDH1A1THRBCNR1
SCHEMBL28120712 0.90 DGKA (0.46) RECQLDGKAMAPTALDH1A1THRB
SCHEMBL28120710 0.88 DGKA (0.47) RECQLDGKAMAPTALDH1A1THRB
SCHEMBL4959012 0.87 RECQL (0.47) RECQLDGKAMAPTALDH1A1LMNA
SCHEMBL27547997 0.86 DGKA (0.46) RECQLDGKAMAPTALDH1A1LMNA
SCHEMBL5483716 0.85 RECQL (0.48) RECQLDGKAMAPTALDH1A1LMNA
SCHEMBL5492336 0.85 RECQL (0.48) RECQLDGKAMAPTALDH1A1LMNA

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
CN-102757646-B Silicone microemulsion composition SHIN-ETSU CHEMICAL INDUSTRY CO., LTD. (JP) 2015-11-25 CN disclosed