SCHEMBL8417002

SCHEMBL8417002

COC(=O)C1CCC(NCCO)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
OPRK1 P41145 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SPHK1 Q9NYA1 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL8417000 1.00 TP53 (0.40) TP53POLBGAACHRNB2CHRNA4
SCHEMBL379473 0.84 MAPT (0.44) GAASMN1; SMN2ALDH1A1
SCHEMBL16420915 0.84 GSK3B (0.40) TP53POLBGAACHRNB2CHRNA4
SCHEMBL1722156 0.81 GAA (0.44) TP53POLBGAACHRNB2CHRNA4
SCHEMBL1722155 0.81 GAA (0.44) TP53POLBGAACHRNB2CHRNA4
SCHEMBL5067569 0.81 POLB (0.39) TP53POLBGAACHRNB2CHRNA4
SCHEMBL5067567 0.81 POLB (0.39) TP53POLBGAACHRNB2CHRNA4
SCHEMBL24221182 0.80 GNAI3 (0.50)
SCHEMBL23776245 0.80 POLB (0.44) TP53POLBGAACHRNB2CHRNA4
SCHEMBL19910363 0.78 POLB (0.47) POLBSMN1; SMN2ALDH1A1L3MBTL1

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-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed