SCHEMBL11488692

SCHEMBL11488692

COCCn1c(C)cc(C(=O)C(C)C)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 9/20 0.50
TP53 P04637 4/20 0.50
MITF O75030 2/20 0.50
NOD1 Q9Y239 2/20 0.50
NPC1 O15118 11/20 0.49
RAB9A P51151 11/20 0.49
TNF P01375 1/20 0.49
LMNA P02545 3/20 0.48
GALR3 O60755 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
CASP7 P55210 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL25062551 0.83 KDM4E (0.60) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL27896049 0.81 KDM4E (0.55) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL5814715 0.79 KDM4E (0.60) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL11489960 0.79 KDM4E (0.53) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL5814719 0.79 KDM4E (0.60) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL11494664 0.77 RAB9A (0.59) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL25062548 0.77 KDM4E (0.51) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL11493351 0.75 NOD1 (0.59) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL11488135 0.74 MAPT (0.52) KDM4EMEN1KMT2ASMN1; SMN2TP53
SCHEMBL25062629 0.74 NPC1 (0.49) KDM4EMEN1KMT2ASMN1; SMN2TP53

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-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
EP-0002392-A2 1-substituted-3-acylpyrrole derivatives, process for their preparation and platelet aggregation inhibiting agents containing them TEIJIN LIMITED (JP) 1979-06-13 EP disclosed