SCHEMBL9350600

SCHEMBL9350600

CCCCCCCCCC(CC)OC(=O)c1ccccc1C(=O)OC(CC)CCCCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
TSHR P16473 5/20 0.55
LMNA P02545 3/20 0.55
CYP3A4 P08684 4/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
CA2 P00918 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PRKCA P17252 2/20 0.50
PRKCD Q05655 2/20 0.50
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43

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
SCHEMBL8021123 1.00 ALDH1A1 (0.63) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL1007039 1.00 ALDH1A1 (0.63) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL7909412 1.00 ALDH1A1 (0.63) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL913893 0.98 ALDH1A1 (0.61) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6407093 0.94 ALDH1A1 (0.73) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6405282 0.94 ALDH1A1 (0.73) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6404710 0.94 ALDH1A1 (0.73) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6402291 0.94 ALDH1A1 (0.73) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6406717 0.94 ALDH1A1 (0.73) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL1007040 0.94 ALDH1A1 (0.73) ALDH1A1PRSS1PRSS2PRSS3TSHR

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-111819233-B Plasticizer for halogen-based resin 花王株式会社 2022-03-15 CN disclosed
US-5326796-A Use of an arylsulphonylurethane as film forming resin in nitrocellulose nail varnishes, new arylsulphonylurethanes and new nitrocellulose nail varnishes SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1994-07-05 US disclosed