SCHEMBL9692199

SCHEMBL9692199

COC(=O)C1OC1(C)c1ccc(CC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.43
CXCR2 P25025 3/20 0.43
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ADAM17 P78536 1/20 0.39
CHRM1 P11229 1/20 0.39
PDE4A P27815 1/20 0.39
FAAH O00519 2/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1C3 P42330 2/20 0.39
ALOX5 P09917 2/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 1/20 0.39
RARB P10826 1/20 0.39
ADRB3 P13945 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL11630575 0.89 CXCR1 (0.33) CXCR1CXCR2MMP1MMP2MMP9
SCHEMBL11809472 0.88 PTGS1 (0.38) CXCR1CXCR2MMP1MMP2MMP9
SCHEMBL11734664 0.86 PTGS1 (0.37) CXCR1CXCR2MMP1MMP2MMP9
SCHEMBL9690238 0.84 ALDH1A1 (0.39) LMNA
SCHEMBL9185282 0.84 PTGS1 (0.45) CXCR1CXCR2MMP1MMP2MMP9
SCHEMBL11631923 0.84 FDFT1 (0.36)
SCHEMBL11628097 0.83 MMP1 (0.30) MMP1MMP2MMP9ADAM17
SCHEMBL11731498 0.82 PTGS1 (0.40) CXCR1CXCR2MMP1MMP2MMP9
SCHEMBL9692693 0.81 RAB9A (0.38) LMNANFKB1
SCHEMBL11628102 0.79 ACACB (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153692-B1 METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
US-4621150-A METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-11-04 US disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed
US-4096338-A ANTIPHLOGISTIC NISSHIN FLOUR MILLING CO., LTD. (JA) 1978-06-20 US disclosed
US-4016196-A HEATING GLYCIDIC ESTERS NISSHIN FLOUR MILLING CO., LTD. (JA) 1977-04-05 US disclosed
US-4007217-A FROM A GLYCIDATE NISSHIN FLOUR MILLING CO., LTD. (JA) 1977-02-08 US disclosed
US-3959349-A 2-Hydroxy-3(4-alkylphenyl)-3-butenoic acid ester and process for the production thereof NISSHIN FLOUR MILLING CO., LTD. (JA) 1976-05-25 US disclosed