SCHEMBL28640447

SCHEMBL28640447

CCCCCCCCCCCCCCCCC(CC)(CCCCCC)C(=O)OOC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
F2 P00734 1/20 0.47
NAAA Q02083 1/20 0.46
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PRSS1 P07477 2/20 0.41
CTSG P08311 2/20 0.41
CTRB1 P17538 2/20 0.41
CMA1 P23946 2/20 0.41
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR1A P08908 1/20 0.38
SCN1A P35498 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SCN5A Q14524 1/20 0.38

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
Benzoyl Peroxide SCHEMBL11605837 0.82 LMNA (0.71) LMNAF2NAAACES2CES1
Benzoyl Peroxide SCHEMBL11029591 0.81 LMNA (0.52) LMNAF2NAAACES2CES1
SCHEMBL10404454 0.79 LMNA (0.49) LMNAF2NAAACES2CES1
SCHEMBL11211524 0.78 NAAA (0.47) LMNANAAACES2CES1TDP1
Stearic Acid SCHEMBL28271269 0.78 CES2 (0.57) LMNAF2CES2CES1TDP1
SCHEMBL27740169 0.77 TDP1 (0.57) LMNAF2NAAACES2CES1
Benzoyl Peroxide SCHEMBL27932734 0.76 LMNA (0.57) LMNAF2NAAACES2CES1
Benzoyl Peroxide SCHEMBL8855784 0.76 LMNA (0.58) LMNAF2NAAACES2CES1
Dodecane SCHEMBL12471833 0.75 TDP1 (0.58) LMNAF2NAAACES2CES1
SCHEMBL27432792 0.75 TDP1 (0.50) LMNAF2NAAACES2CES1

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
CN-110219180-B Processing technology of base cloth of superfine fiber synthetic leather 浙江永祥合成材料有限公司 2021-09-10 CN claimed
CN-110219180-B Processing technology of base cloth of superfine fiber synthetic leather 浙江永祥合成材料有限公司 2021-09-10 CN disclosed