SCHEMBL8640526

SCHEMBL8640526

CCN1CCCC1Oc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 7/20 0.44
APP P05067 1/20 0.44
MAOA P21397 1/20 0.42
S1PR5 Q9H228 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42

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
SCHEMBL8640497 0.89 SPHK2 (0.50) SPHK2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL8639328 0.89 HRH3 (0.51) SPHK2SPHK1HRH3NPC1CASP3
SCHEMBL8644129 0.88 LMNA (0.41) LMNASPHK2SPHK1HRH3RECQL
SCHEMBL8640809 0.88 HRH3 (0.47) SPHK2SPHK1HRH3NPC1RAB9A
SCHEMBL8641777 0.87 HRH3 (0.57) LMNASPHK2SPHK1HRH3NPC1
SCHEMBL8636128 0.86 MAOB (0.56) SPHK2SPHK1MAOBMAOAMMP13
SCHEMBL8640957 0.85 LTA4H (0.41) LMNAHRH3RECQLSMN1; SMN2
SCHEMBL7400750 0.83 HRH3 (0.45) LMNASPHK2SPHK1HRH3NPC1
Hydrochloric Acid SCHEMBL7403941 0.82 HRH3 (0.44) LMNASPHK2SPHK1HRH3NPC1
SCHEMBL8637785 0.81 SCN3A (0.53) SPHK2SPHK1NPC1CASP3RAB9A

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed