SCHEMBL9260869

SCHEMBL9260869

COC(=O)C1CCC(C=C(Br)Br)CC1.O=C(O)[C@H]1CC[C@H](C=C(Br)Br)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL10510050 1.00 PPM1B (0.38) PPM1BPTPN1PPP1CCTP53SMN1; SMN2
SCHEMBL9254346 0.93 TP53 (0.41) PPM1BPTPN1PPP1CCTP53SMN1; SMN2
SCHEMBL9734526 0.93 TP53 (0.41) PPM1BPTPN1PPP1CCTP53SMN1; SMN2
SCHEMBL9257494 0.86 LMNA (0.40) SMN1; SMN2NPC1RAB9APLGPLAT
SCHEMBL9257502 0.86 LMNA (0.40) SMN1; SMN2NPC1RAB9APLGPLAT
SCHEMBL9261374 0.86 LMNA (0.40) SMN1; SMN2NPC1RAB9APLGPLAT
SCHEMBL595940 0.82 PPM1B (0.50) PPM1BPTPN1PPP1CCTP53SMN1; SMN2
SCHEMBL145756 0.82 PPM1B (0.50) PPM1BPTPN1PPP1CCTP53SMN1; SMN2
SCHEMBL107582 0.82 PPM1B (0.50) PPM1BPTPN1PPP1CCTP53SMN1; SMN2
Methyl Alcohol SCHEMBL27845136 0.80 PPM1B (0.48) PPM1BPTPN1PPP1CCTP53SMN1; SMN2

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-5466710-A Heterobicycloalkanes as pesticidal compounds ROUSSEL UCLAF (FR) 1995-11-14 US disclosed
EP-0300797-A1 Pesticidal compounds ROUSSEL UCLAF (FR) 1989-01-25 EP disclosed