SCHEMBL4957342

SCHEMBL4957342

CCCCC/C(C)=C(\C)OC(=O)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
DGKA P23743 1/20 0.45
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
AKR1B1 P15121 1/20 0.43
LMNA P02545 2/20 0.42
DNM1 Q05193 1/20 0.42
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
GPR84 Q9NQS5 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 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
SCHEMBL4957346 1.00 NAAA (0.45) NAAADGKACES2CES1AKR1B1
SCHEMBL4955277 0.85 CES2 (0.46) DGKACES2CES1AKR1B1PPARG
SCHEMBL4955282 0.85 CES2 (0.46) DGKACES2CES1AKR1B1PPARG
SCHEMBL4958009 0.79 LMNA (0.47) DGKACES2CES1AKR1B1LMNA
SCHEMBL4958012 0.79 LMNA (0.47) DGKACES2CES1AKR1B1LMNA
SCHEMBL1698297 0.78 ALDH1A1 (0.59) NAAADGKACES2CES1AKR1B1
SCHEMBL4480655 0.76 DGKA (0.61) NAAADGKACES2CES1LMNA
SCHEMBL6898473 0.76 DGKA (0.61) NAAADGKACES2CES1LMNA
SCHEMBL4631663 0.76 DGKA (0.61) NAAADGKACES2CES1LMNA
SCHEMBL1698301 0.76 DGKA (0.61) NAAADGKACES2CES1LMNA

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-20080221003-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-09-11 US disclosed
US-20080207481-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed