SCHEMBL10488291

SCHEMBL10488291

O=C(O)CC(CO)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.51
MMP13 P45452 2/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP14 P50281 1/20 0.51
KEAP1 Q14145 1/20 0.48
CPA1 P15085 2/20 0.46
CPB1 P15086 1/20 0.46
CPA3 P15088 1/20 0.46
CPB2 Q96IY4 1/20 0.46
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL18065715 0.90 MMP12 (0.56) MMP12MMP13MMP2MMP9MMP14
SCHEMBL19285755 0.84 TDP1 (0.54) KEAP1SMN1; SMN2CNR2TSHR
SCHEMBL4595228 0.84 TDP1 (0.54) KEAP1SMN1; SMN2CNR2TSHR
SCHEMBL7195674 0.84 MMP12 (0.50) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5237256 0.84 MMP12 (0.50) MMP12MMP13MMP2MMP9MMP14
SCHEMBL24925 0.84 MMP12 (0.50) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4076046 0.82 MMP12 (0.49) MMP12MMP13MMP2MMP9MMP14
SCHEMBL27519412 0.82 MMP12 (0.49) MMP12MMP13MMP2MMP9MMP14
SCHEMBL7297804 0.81 CPA3 (0.58) MMP12MMP2MMP9KEAP1CPA1
SCHEMBL8051200 0.81 CPA3 (0.58) MMP12MMP2MMP9KEAP1CPA1

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
US-4855126-A 2-ACETAMIDO-2-DEOXY-3-O-(D-GALACTOPYRANOSY)-D-GALACTO -PYRANOSIDE/ CHEMBIOMED LTD. (CA) 1989-08-08 US disclosed
US-4794176-A HAPTEN DISACCHARIDE FOR CANCER DIAGNOSIS CHEMBIOMED (CA) 1988-12-27 US disclosed
US-4767845-A DIAGNOSTIC FOR HUMAN CANCER; GLYCOSIDES BY REDUCTION, ACETYLATION, DEACETYLATION CHEMBIOMED, LTD. (CA) 1988-08-30 US disclosed
EP-0044188-A2 Synthesis of tumor antigenic determinant CHEMBIOMED LTD. (CA) 1982-01-20 EP disclosed