SCHEMBL11533685

SCHEMBL11533685

CC(=O)NC1CCCC(=O)c2sccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP11B1 P15538 11/20 0.41
CYP11B2 P19099 11/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRD3 Q15059 1/20 0.39

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
SCHEMBL11261499 0.92 CA12 (0.45) LMNANPC1RAB9ASMN1; SMN2CA12
SCHEMBL11533734 0.86 LMNA (0.66) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL11535620 0.86 LMNA (0.45) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL11269784 0.82 LMNA (0.68) LMNACYP11B1CYP11B2CA12CA1
SCHEMBL11542258 0.80 LMNA (0.46) LMNANPC1RAB9ASMN1; SMN2CYP11B1
SCHEMBL11535854 0.78 LMNA (0.74) LMNACYP11B1CYP11B2CA12CA1
SCHEMBL11478775 0.78 LMNA (0.61) LMNANPC1RAB9ASMN1; SMN2CA12
SCHEMBL11530459 0.77 LMNA (0.48) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
Sulbenox SCHEMBL11740934 0.77 SMN1; SMN2 (0.44) LMNANPC1RAB9ASMN1; SMN2CA12
Sulbenox SCHEMBL110252 0.77 SMN1; SMN2 (0.44) LMNANPC1RAB9ASMN1; SMN2CA12

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-4150035-A ANIMAL CROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1979-04-17 US claimed
US-4150035-A ANIMAL CROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1979-04-17 US disclosed