SCHEMBL11042953

SCHEMBL11042953

C=CCC(/C=C1/CCCCC1=O)CC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
EGFR P00533 1/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 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
SCHEMBL11042955 1.00 NPC1 (0.31) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL8650664 0.86 NPC1 (0.36) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL8650660 0.86 NPC1 (0.36) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL11040966 0.79 RAB9A (0.36) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL11040965 0.79 RAB9A (0.36) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL18186751 0.77 SMN1; SMN2 (0.44) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL18186752 0.77 SMN1; SMN2 (0.44) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL1078383 0.72 ALDH1A1 (0.35) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL1077341 0.69 ALDH1A1 (0.36) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL6900658 0.69 ALDH1A1 (0.36) NPC1MAPTRAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038471-B1 BETA-GAMMA-UNSATURATED KETONES AND ISOPRENOIC DIENONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PERFUME COMPOUNDS AND FLAVOURINGS Consortium für elektrochemische Industrie GmbH (DE) 1984-11-14 EP disclosed
US-4385185-A β-γ-Unsaturated ketones and isoprenoid 2,6 diones, a process for producing the same and their use as fragrant and flavoring substances CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1983-05-24 US disclosed
EP-0038471-A1 Beta-gamma-unsaturated ketones and isoprenoic dienones, process for their preparation and their use as perfume compounds and flavourings Consortium für elektrochemische Industrie GmbH (DE) 1981-10-28 EP disclosed