SCHEMBL11610163

SCHEMBL11610163

CCCc1ncc(CCCCC(=O)OCC)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ TBXAS1 P24557 2/20 0.41
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ CYP4Z1 Q86W10 1/20 0.38
▸ DGKA P23743 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL11735415 0.83 ADRB2 (0.48) ALDH1A1ADRB2ADRB1ADRB3RECQL
SCHEMBL11608097 0.83 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1RECQLTSHRUSP2
SCHEMBL25221249 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CYP4F2CYP4A11ALDH1A1ADRB2
SCHEMBL25625452 0.78 SMN1; SMN2 (0.50) SMN1; SMN2CYP4F2CYP4A11ALDH1A1CYP1A2
SCHEMBL18834525 0.77 SMN1; SMN2 (0.44) SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL11712159 0.75 EPHX1 (0.50) ALDH1A1RECQLTSHRCCNE1CDK2
SCHEMBL16028881 0.74 CYP4F2 (0.45) SMN1; SMN2CYP4F2CYP4A11ALDH1A1CYP4Z1
SCHEMBL19628552 0.74 FDPS (0.44) CCNE1CDK2CDK5
SCHEMBL1567646 0.73 SMN1; SMN2 (0.50) SMN1; SMN2CYP4F2CYP4A11ALDH1A1CYP1A2
SCHEMBL20033831 0.73 SMN1; SMN2 (0.50) SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR

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
US-4073919-A Hypolipemiant compositions and methods ROUSSEL UCLAF (FR) 1978-02-14 — — US disclosed
US-4032643-A ANTILIPOLYTIC AGENTS, VASODILATION, ANTIBRADYKINETIC AGENTS ROUSSEL-UCLAF (FR) 1977-06-28 — — US disclosed
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