SCHEMBL8950528

SCHEMBL8950528

COC(=O)C1CCC(C(C)=O)(C(=O)OC)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.33
TSHR P16473 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33

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
SCHEMBL14129067 0.90 TP53 (0.43) TP53POLBSMN1; SMN2CHRNB2CHRNA4
SCHEMBL12462589 0.90 TP53 (0.43) TP53POLBSMN1; SMN2CHRNB2CHRNA4
SCHEMBL3606720 0.80 NPSR1 (0.41) MAPTGAAALDH1A1
SCHEMBL16875576 0.77 TP53 (0.42) TP53POLBSMN1; SMN2CHRNB2CHRNA4
SCHEMBL16886408 0.77 TP53 (0.42) TP53POLBSMN1; SMN2CHRNB2CHRNA4
SCHEMBL16886405 0.77 TP53 (0.42) TP53POLBSMN1; SMN2CHRNB2CHRNA4
SCHEMBL16887593 0.77 TP53 (0.42) TP53POLBSMN1; SMN2CHRNB2CHRNA4
SCHEMBL16875305 0.77 TP53 (0.42) TP53POLBSMN1; SMN2CHRNB2CHRNA4
SCHEMBL8174277 0.76 TP53 (0.39) TP53POLBSMN1; SMN2CHRNB2CHRNA4
SCHEMBL30683834 0.76 NPSR1 (0.48) SMN1; SMN2MAPTALDH1A1TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502073-A INSECTICIDES OR ANTHELMINTICS THE WELLCOME FOUNDATION (GB) 1996-03-26 US disclosed
US-5466710-A Heterobicycloalkanes as pesticidal compounds ROUSSEL UCLAF (FR) 1995-11-14 US disclosed
EP-0294229-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-12-02 EP disclosed
EP-0372816-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-29 EP disclosed
US-5116862-A Acetylenic trithiabicyclo(2.2.2)octanes THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-26 US disclosed
WO-1990006304-A1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-14 WO disclosed
EP-0372816-A1 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP disclosed
EP-0300797-A1 Pesticidal compounds ROUSSEL UCLAF (FR) 1989-01-25 EP disclosed
EP-0294229-A2 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 EP disclosed