SCHEMBL9517488

SCHEMBL9517488

CC#CCCCCCC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 4/20 0.45
HMGCR P04035 3/20 0.45
CYP1A2 P05177 3/20 0.41
SOAT1 P35610 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 2/20 0.37
EPHX2 P34913 1/20 0.36
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SELP P16109 1/20 0.35
NPC1 O15118 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
SCHEMBL6892587 0.91
SCHEMBL4688591 0.83
SCHEMBL3626347 0.82 PTPN7 (0.67) PTPN7HMGCRCYP1A2CYP2C19MEN1
SCHEMBL2123036 0.82 PTPN7 (0.67) PTPN7HMGCRCYP1A2CYP2C19MEN1
SCHEMBL26251491 0.82 PTPN7 (0.67) PTPN7HMGCRCYP1A2CYP2C19MEN1
SCHEMBL28743000 0.82 PTPN7 (0.67) PTPN7HMGCRCYP1A2CYP2C19MEN1
SCHEMBL10404839 0.82 PTPN7 (0.67) PTPN7HMGCRCYP1A2CYP2C19MEN1
SCHEMBL11045543 0.82 PTPN7 (0.67) PTPN7HMGCRCYP1A2CYP2C19MEN1
SCHEMBL5375334 0.82 PTPN7 (0.67) PTPN7HMGCRCYP1A2CYP2C19MEN1
SCHEMBL26624468 0.82 PTPN7 (0.67) PTPN7HMGCRCYP1A2CYP2C19MEN1

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
EP-0384842-B1 19-Nor steroids substituted at position 11-beta by a hydrocarbon chain containing an amide or carbamate group, their preparation, intermediates, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
EP-0384842-A1 19-Nor steroids substituted at position 11-beta by a hydrocarbon chain containing an amide or carbamate group, their preparation, intermediates, their use as medicaments and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1990-08-29 EP disclosed