SCHEMBL9498152

SCHEMBL9498152

CC(=O)CC/C=C/CCCC/C=C/CCC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
PPARG P37231 4/20 0.46
TERT O14746 3/20 0.46
PTPN1 P18031 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
TOP1 P11387 3/20 0.46
CYP1A2 P05177 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C19 P33261 2/20 0.46
BLM P54132 2/20 0.46
HSD17B10 Q99714 2/20 0.46
FABP4 P15090 2/20 0.46
F7 P08709 2/20 0.46
F3 P13726 2/20 0.46
FAAH O00519 2/20 0.46
KMT2A Q03164 2/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL9498159 1.00 ALDH1A1 (0.47) ALDH1A1PPARGTERTPTPN1PPARD
SCHEMBL11009265 0.91 ALDH1A1 (0.56) ALDH1A1PPARGTERTPTPN1PPARD
SCHEMBL11009268 0.91 ALDH1A1 (0.56) ALDH1A1PPARGTERTPTPN1PPARD
SCHEMBL11502529 0.91 PPARG (0.61) ALDH1A1PPARGTERTPTPN1PPARD
SCHEMBL1784610 0.91 PPARG (0.61) ALDH1A1PPARGTERTPTPN1PPARD
SCHEMBL1784609 0.91 PPARG (0.61) ALDH1A1PPARGTERTPTPN1PPARD
SCHEMBL1783654 0.89 TERT (0.64) PPARGTERTPTPN1PPARDPPARA
SCHEMBL1782209 0.89 TERT (0.64) PPARGTERTPTPN1PPARDPPARA
SCHEMBL11705619 0.89 TERT (0.64) PPARGTERTPTPN1PPARDPPARA
SCHEMBL1783702 0.89 TERT (0.64) PPARGTERTPTPN1PPARDPPARA

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