SCHEMBL11501036

SCHEMBL11501036

CCOC(=O)Cn1c(C)cc(C(=O)C(N)C(C)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
TSHR P16473 4/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ENPP2 Q13822 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 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
SCHEMBL11501035 1.00 RAB9A (0.41) RAB9ATSHRKDM4EALDH1A1NPC1
SCHEMBL9946564 0.73 RAB9A (0.50) RAB9ATSHRKDM4EALDH1A1HSD17B10
SCHEMBL11490023 0.71 POLB (0.55) RAB9ATSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL11496695 0.69 ENPP2 (0.48) RAB9ATSHRALDH1A1NPC1SMN1; SMN2
SCHEMBL11494616 0.68 TSHR (0.57) RAB9ATSHRKDM4EALDH1A1NPC1
SCHEMBL9899917 0.67 KDM4E (0.56) RAB9ATSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL11638452 0.66 KMT2A (0.36) RAB9ATSHRKDM4EALDH1A1NPC1
SCHEMBL1988320 0.65 ALDH1A1 (0.66) RAB9ATSHRKDM4EALDH1A1HSD17B10
SCHEMBL1987535 0.65 RAB9A (0.54) RAB9ATSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL2828050 0.64 KDM4E (0.54) RAB9ATSHRKDM4EALDH1A1ENPP2

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
US-4233309-A Novel 1-substituted-3-acylpyrrole derivatives, platelet aggregation inhibitors containing them, as active ingredients, and processes for production of said derivatives TEIJIN LIMITED (JP) 1980-11-11 US disclosed