SCHEMBL11278418

SCHEMBL11278418

C=CC(=O)CCCCCCCCCCC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ABCC4 O15439 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.39
HIF1A Q16665 1/20 0.39
FAAH O00519 3/20 0.37
TRPV1 Q8NER1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL13980918 1.00 MAPT (0.45) MAPTABCC4ALDH1A1TSHRLMNA
SCHEMBL8738053 0.85 TSHR (0.48) MAPTABCC4ALDH1A1TSHRLMNA
SCHEMBL2691938 0.85 TSHR (0.48) MAPTABCC4ALDH1A1TSHRLMNA
SCHEMBL18623650 0.85 TSHR (0.48) MAPTABCC4ALDH1A1TSHRLMNA
SCHEMBL22492168 0.85 TSHR (0.48) MAPTABCC4ALDH1A1TSHRLMNA
SCHEMBL23631357 0.85 TSHR (0.48) MAPTABCC4ALDH1A1TSHRLMNA
SCHEMBL18691950 0.84 MAPT (0.64) MAPTABCC4ALDH1A1TSHRLMNA
SCHEMBL28244058 0.84 MAPT (0.64) MAPTABCC4ALDH1A1TSHRLMNA
SCHEMBL11746010 0.84 MAPT (0.64) MAPTABCC4ALDH1A1TSHRLMNA
SCHEMBL6557587 0.83 ALDH1A1 (0.50) MAPTABCC4ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012390-B1 PROCESS FOR THE PREPARATION OF MUSCONE; THE INTERMEDIATE PYRANIC COMPOUNDS FIRMENICH SA (CH) 1982-11-24 EP disclosed
US-4341897-A Pyranic derivatives for use in the preparation of muscone FIRMENICH SA (CH) 1982-07-27 US disclosed
US-4277625-A Process for the preparation of muscone FIRMENICH SA (CH) 1981-07-07 US disclosed
EP-0012390-A2 Process for the preparation of muscone; the intermediate pyranic compounds FIRMENICH SA (CH) 1980-06-25 EP disclosed