SCHEMBL11230445

SCHEMBL11230445

O=C(/C=C\C(=O)OC/C=C/c1ccccc1)OC/C=C/c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
AKR1B10 O60218 2/20 0.54
AKR1B1 P15121 2/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP12 P39900 1/20 0.54
IDO1 P14902 2/20 0.53
PAM P19021 1/20 0.53
CA12 O43570 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HCAR2 Q8TDS4 2/20 0.48
MAPT P10636 2/20 0.48

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
SCHEMBL11230448 0.95 HCAR2 (0.56) LMNAAKR1B10AKR1B1MMP1MMP2
SCHEMBL11230453 0.95 HCAR2 (0.56) LMNAAKR1B10AKR1B1MMP1MMP2
SCHEMBL112365 0.95 LMNA (0.65) LMNAAKR1B10AKR1B1MMP1MMP2
SCHEMBL14764012 0.95 LMNA (0.65) LMNAAKR1B10AKR1B1MMP1MMP2
SCHEMBL1532460 0.95 LMNA (0.65) LMNAAKR1B10AKR1B1MMP1MMP2
SCHEMBL112366 0.95 LMNA (0.65) LMNAAKR1B10AKR1B1MMP1MMP2
SCHEMBL827239 0.95 LMNA (0.65) LMNAAKR1B10AKR1B1MMP1MMP2
SCHEMBL4106013 0.92 CA12 (0.54) LMNAAKR1B10AKR1B1MMP1MMP2
SCHEMBL4106021 0.92 CA12 (0.54) LMNAAKR1B10AKR1B1MMP1MMP2
SCHEMBL12809162 0.92 CA12 (0.54) LMNAAKR1B10AKR1B1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105744983-B Device and method for sustained release of therapeutic agents of low water solubility in solubilizing agents 纳米医学系统公司 2019-12-27 CN disclosed
US-4324679-A INCLUSION OF UNSATURATED COMPOUND TO REACT WITH ORGANOSULFUR DECOMPOSITION PRODUCTS OF PHOTOINITIATOR MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-04-13 US disclosed
US-4218531-A AROMATIC SULFONIUM COMPLEX SALT PHOTOINITIATOR MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1980-08-19 US disclosed