SCHEMBL7325742

SCHEMBL7325742

COCC#Cc1ccc(C[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ITGB1 P05556 3/20 0.45
ITGA4 P13612 3/20 0.45
MMP2 P08253 4/20 0.43
MMP13 P45452 2/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 3/20 0.41
MMP1 P03956 1/20 0.41
MMP7 P09237 1/20 0.41
MMP8 P22894 1/20 0.41
ADAM17 P78536 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7325748 1.00 MAPK1 (0.46) MAPK1KMT2AITGB1ITGA4MMP2
SCHEMBL7320767 0.90 MMP2 (0.48) MAPK1KMT2AITGB1ITGA4MMP2
SCHEMBL7320770 0.90 MMP2 (0.48) MAPK1KMT2AITGB1ITGA4MMP2
SCHEMBL7327806 0.89 MMP2 (0.45) MAPK1KMT2AITGB1ITGA4MMP2
SCHEMBL7327808 0.89 MMP2 (0.45) MAPK1KMT2AITGB1ITGA4MMP2
SCHEMBL7506837 0.87 ITGA4 (0.52) MAPK1ITGB1ITGA4MMP2MMP9
SCHEMBL7511565 0.87 ITGA4 (0.52) MAPK1ITGB1ITGA4MMP2MMP9
SCHEMBL7316300 0.86 MMP13 (0.48) MAPK1KMT2AITGB1ITGA4MMP2
SCHEMBL7316305 0.86 MMP13 (0.48) MAPK1KMT2AITGB1ITGA4MMP2
SCHEMBL7325803 0.85 MAPK1 (0.48) MAPK1KMT2AITGB1ITGA4MMP2

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
US-6492421-B1 BINDING VERY LATE ANTIGEN-4; INFLAMMATORY DISEASES SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS, DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS, MYOCARDIAL ISCHEMIA ATHENA NEUROSCIENCES, INC. 2002-12-10 US claimed
US-6492421-B1 BINDING VERY LATE ANTIGEN-4; INFLAMMATORY DISEASES SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS, DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS, MYOCARDIAL ISCHEMIA ATHENA NEUROSCIENCES, INC. 2002-12-10 US disclosed