SCHEMBL19994697

SCHEMBL19994697

CCC=C(CO)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
AKR1B1 P15121 1/20 0.37
TSHR P16473 5/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GPR84 Q9NQS5 6/20 0.36
PPARG P37231 6/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
HDAC11 Q96DB2 5/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
PTPN1 P18031 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36

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
SCHEMBL7927993 0.93 CES1 (0.36) CES2CES1SMN1; SMN2TSHRALDH1A1
SCHEMBL7927996 0.93 CES1 (0.36) CES2CES1SMN1; SMN2TSHRALDH1A1
SCHEMBL31520439 0.87 CES2 (0.43) CES2CES1AKR1B1TSHRALDH1A1
SCHEMBL5868328 0.85 ALDH1A1 (0.36) SMN1; SMN2TSHRALDH1A1LMNAHSD17B10
SCHEMBL4957610 0.85 CES2 (0.46) CES2CES1TSHRALDH1A1HSD17B10
SCHEMBL9000699 0.84 EP300 (0.42) LMNAHSD17B10MEN1KMT2APPARG
SCHEMBL9000691 0.84 EP300 (0.42) LMNAHSD17B10MEN1KMT2APPARG
SCHEMBL29216406 0.84 CES2 (0.41) CES2CES1TSHRALDH1A1LMNA
SCHEMBL9000837 0.84 EP300 (0.42) LMNAHSD17B10MEN1KMT2APPARG
SCHEMBL11053685 0.84 CES2 (0.41) CES2CES1TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018055125-A1 SUSTAINED-RELEASE PERFUME-CONTAINING SOLUBLE BODY HENKEL AG & CO. KGAA (DE) 2018-03-29 WO disclosed