SCHEMBL28429762

SCHEMBL28429762

CCCCCCN(CCCCCC)OC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.49
CES1 P23141 3/20 0.49
LMNA P02545 2/20 0.49
NAAA Q02083 1/20 0.47
NPC1 O15118 1/20 0.47
JAK2 O60674 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ICMT O60725 1/20 0.44
ALB P02768 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL27851129 0.98 LMNA (0.50) CES2CES1LMNANAAANPC1
SCHEMBL11850307 0.93 LMNA (0.51) CES2CES1LMNANAAATSHR
SCHEMBL10748521 0.90 CNR2 (0.46) CES2CES1LMNANAAANPC1
SCHEMBL10748891 0.90 CNR2 (0.46) CES2CES1LMNANAAANPC1
SCHEMBL28026405 0.86 LMNA (0.55) CES2CES1LMNARAB9ATSHR
Hydrochloric Acid SCHEMBL10905008 0.86 CES2 (0.47) CES2CES1LMNANAAANPC1
SCHEMBL7152785 0.86 LSS (0.44) CES2CES1LMNANAAANPC1
Hydrochloric Acid SCHEMBL9134016 0.85 LMNA (0.44) CES2CES1LMNARAB9ATSHR
SCHEMBL11528325 0.84 CES2 (0.46) CES2CES1LMNANAAANPC1
SCHEMBL11532454 0.84 CES2 (0.46) CES2CES1LMNANAAANPC1

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-111423818-B Modified asphalt and preparation method thereof 广州大学 2022-02-18 CN disclosed
CN-111423818-A Modified asphalt and preparation method thereof 广州大学 2020-07-17 CN disclosed