SCHEMBL28979205

SCHEMBL28979205

CCOC(=O)CCCCCCCCCCCCCCCCCC(Br)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.59
PPARD Q03181 1/20 0.59
ZDHHC20 Q5W0Z9 1/20 0.59
ZDHHC2 Q9UIJ5 1/20 0.59
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 2/20 0.46
ZDHHC7 Q9NXF8 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.44
PAM P19021 2/20 0.43
DGKA P23743 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL21221190 0.98 LCK (0.56) LCKPPARDZDHHC20ZDHHC2CYP1A2
SCHEMBL9714798 0.88 ZDHHC7 (0.51) LCKPPARDZDHHC20ZDHHC2CYP1A2
SCHEMBL9489696 0.88 ZDHHC7 (0.51) LCKPPARDZDHHC20ZDHHC2CYP1A2
SCHEMBL27750312 0.86 KMT2A (0.50) LCKPPARDZDHHC20ZDHHC2CYP1A2
SCHEMBL27278231 0.85 L3MBTL1 (0.47) LCKPPARDZDHHC20ZDHHC2CYP1A2
SCHEMBL11514409 0.84 CYP1A2 (0.52) CYP1A2KMT2AALDH1A1TDP1CYP3A4
SCHEMBL4835509 0.84 CYP1A2 (0.52) CYP1A2KMT2AALDH1A1TDP1CYP3A4
SCHEMBL21221161 0.83 CYP1A2 (0.47) LCKPPARDZDHHC20ZDHHC2CYP1A2
SCHEMBL10578789 0.82 CYP1A2 (0.50) CYP1A2KMT2AALDH1A1TDP1CYP3A4
SCHEMBL2715956 0.82 CYP1A2 (0.50) CYP1A2KMT2AALDH1A1TDP1CYP3A4

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
CN-115873579-A Viscosity-reducing washing oil agent for thickened oil and preparation method and application thereof 中国石油化工股份有限公司 2023-03-31 CN disclosed