SCHEMBL30599686

SCHEMBL30599686

CC(C(=O)OCCOC(=O)C(C)c1cccc(S)c1)c1cccc(S)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.50
PTGS1 P23219 6/20 0.50
MAPT P10636 2/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
PMP22 Q01453 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CXCL8 P10145 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 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
SCHEMBL31015720 0.95 PTGS2 (0.47) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL11100405 0.89 PTGS1 (0.43) PTGS2PTGS1SMN1; SMN2ALDH1A1LMNA
SCHEMBL31015758 0.83 PTGS2 (0.47) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL2392981 0.79 PTGS1 (0.59) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL30599680 0.75 CPN1 (0.43) PTGS2PTGS1SMN1; SMN2KDM4ELMNA
SCHEMBL27644879 0.74 PTGS1 (0.45) PTGS2PTGS1KDM4EALDH1A1LMNA
SCHEMBL25812372 0.73 PTGS1 (0.44) PTGS2PTGS1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7623367 0.72 CHRM1 (0.46) PTGS2PTGS1SMN1; SMN2ALDH1A1LMNA
Phenol SCHEMBL31015754 0.72 PTGS1 (0.55) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL4210524 0.71 PTGS1 (0.45) PTGS2PTGS1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114829432-B Radical polymerizable resin composition and cured product thereof 株式会社力森诺科 2024-09-17 CN disclosed
CN-114846032-B Radical polymerizable resin composition and cured product thereof 株式会社力森诺科 2024-06-18 CN disclosed
CN-117136175-A Recess filling material kit, cured product thereof, and recess filling method 株式会社力森诺科 2023-11-28 CN disclosed
CN-116917249-A Recess filling material kit, cured product thereof, and recess filling method 株式会社力森诺科 2023-10-20 CN disclosed