SCHEMBL10695557

SCHEMBL10695557

CN(CCC[C]=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.59
CARM1 Q86X55 1/20 0.55
PRMT6 Q96LA8 1/20 0.55
PRMT8 Q9NR22 1/20 0.55
MAOB P27338 6/20 0.53
MAOA P21397 2/20 0.53
ACHE P22303 5/20 0.50
LMNA P02545 3/20 0.49
USP2 O75604 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
PYCR1 P32322 1/20 0.49
KDM4A O75164 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
ALDH1A1 P00352 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL10765990 0.95 SIGMAR1 (0.62) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL11558833 0.89 CARM1 (0.58) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL1088446 0.82 SIGMAR1 (0.74) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL149999 0.82 SIGMAR1 (0.59) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL29733117 0.81 SIGMAR1 (0.85) SIGMAR1CARM1PRMT6PRMT8MAOB
Hydrochloric Acid SCHEMBL1087168 0.81 SIGMAR1 (0.71) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL7225346 0.81 SIGMAR1 (0.85) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL7284935 0.79 SIGMAR1 (0.65) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL10508405 0.78 LMNA (0.56) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL7055109 0.78 CARM1 (0.75) SIGMAR1CARM1PRMT6PRMT8MAOB

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
EP-0252482-A2 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 EP disclosed
EP-0217372-A2 Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 EP disclosed