SCHEMBL9501901

SCHEMBL9501901

CC(=O)/C=C/C=C/CCCCCCCCC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.52
KDM4E B2RXH2 1/20 0.51
SOAT1 P35610 1/20 0.47
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
FAAH O00519 4/20 0.44
PAOX Q6QHF9 1/20 0.43
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
TERT O14746 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL9501902 1.00 FASN (0.52) FASNKDM4ESOAT1MAPTALDH1A1
SCHEMBL9501937 0.98 FASN (0.50) FASNKDM4ESOAT1MAPTALDH1A1
SCHEMBL5697595 0.88 PAOX (0.46) FASNSOAT1MAPTFAAHPAOX
SCHEMBL29469552 0.86 SOAT1 (0.53) FASNKDM4ESOAT1MAPTALDH1A1
SCHEMBL11981320 0.84 FASN (0.72) FASNKDM4ESOAT1MAPTFAAH
SCHEMBL5533110 0.84 FASN (0.72) FASNKDM4ESOAT1MAPTFAAH
SCHEMBL16090848 0.84 FASN (0.56) FASNKDM4ESOAT1MAPTALDH1A1
SCHEMBL15908477 0.84 FASN (0.72) FASNKDM4ESOAT1MAPTFAAH
SCHEMBL16090821 0.84 FASN (0.61) FASNKDM4ESOAT1MAPTFAAH
SCHEMBL16090827 0.84 FASN (0.61) FASNKDM4ESOAT1MAPTFAAH

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-0400509-B1 PROCESS FOR THE PRODUCTION OF MUSCONE, INTERMEDIATES FOR THIS PROCESS AND THEIR PREPARATION BASF Aktiengesellschaft (DE) 1993-04-07 EP disclosed
US-5120880-A Open-chain diunsaturated 2,15-diketone; synthetic musk perfume BASF ATKIENGESELLSCHAFT (DE) 1992-06-09 US disclosed
US-5081311-A Cyclization of a 2,15 hexadecadione BASF AKTIENGESELLSCHAFT (DE) 1992-01-14 US disclosed
EP-0400509-A1 Process for the production of muscone, intermediates for this process and their preparation BASF Aktiengesellschaft (DE) 1990-12-05 EP disclosed