SCHEMBL8558186

SCHEMBL8558186

COC(=O)CCc1ccccc1N1CCNC1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
LMNA P02545 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
SCHEMBL8417011 0.88 CYP4F2 (0.52) NOTUMKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8414043 0.86 NOTUM (0.46) NOTUMKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL8415367 0.83 SCN9A (0.38) EGFRSRCKDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8576052 0.81 TDP1 (0.48) SMN1; SMN2ALDH1A1HPGDHSD17B10MEN1
SCHEMBL31058340 0.79 MEN1 (0.49) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8572572 0.77 MEN1 (0.38) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7275157 0.76 HRH3 (0.44) KDM4EHSD17B10MEN1KMT2ALMNA
SCHEMBL10438855 0.73 CYP4F2 (0.58) EGFRSRCKDM4ESMN1; SMN2ALDH1A1
SCHEMBL27650487 0.73 MAPT (0.43) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8414036 0.71 HSP90AA1 (0.46) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10

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-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed