SCHEMBL27626626

SCHEMBL27626626

CCCCCCCCCc1c(Cl)cccc1OOCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC2A1 P11166 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ CFTR P13569 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ CNR1 P21554 4/20 0.36
▸ CNR2 P34972 4/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARG P37231 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
SCHEMBL23844202 0.81 ALOX5 (0.51) SMN1; SMN2MEN1KMT2ASLC2A1ALOX5
SCHEMBL8308252 0.79 MEN1 (0.51) SMN1; SMN2MEN1KMT2APTGS2KCNH2
SCHEMBL9073051 0.77 TAAR1 (0.52) SMN1; SMN2MEN1KMT2AKCNH2CFTR
SCHEMBL28890609 0.74 CYP1A2 (0.52) SMN1; SMN2MEN1KMT2ASLC2A1ALOX5
SCHEMBL18567611 0.74 MEN1 (0.47) SMN1; SMN2MEN1KMT2AKCNH2CFTR
SCHEMBL28432583 0.73 CYP1A2 (0.53) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL12656340 0.72 MEN1 (0.45) SMN1; SMN2MEN1KMT2AKCNH2CFTR
SCHEMBL30695756 0.71 BID (0.47) SMN1; SMN2MEN1KMT2APTGS2CFTR
SCHEMBL14158501 0.71 BID (0.47) SMN1; SMN2MEN1KMT2APTGS2CFTR
SCHEMBL15995365 0.71 BID (0.47) SMN1; SMN2MEN1KMT2APTGS2CFTR

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-1778461-A Surface activator containing bisether, its formula system and use for triple oil extraction LIU CHUNDE (CN) 2006-05-31 — — CN disclosed
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