SCHEMBL7427294

SCHEMBL7427294

O=C(C[C@H](CCc1ccccc1)C(=O)O)c1ccc2c3c(oc2c1)CCC3

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAOB P27338 2/20 0.40
NFKB1 P19838 2/20 0.40
DPP4 P27487 1/20 0.38
TSHR P16473 1/20 0.37
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL7424384 1.00 KMO (0.41) KMOALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL7431009 0.98 NFKB1 (0.41) KMOALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL7429305 0.97 NFKB1 (0.41) KMOALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL7488775 0.97 NFKB1 (0.41) KMOALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL7426587 0.97 NFKB1 (0.41) KMOALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL7476034 0.94 MMP1 (0.41) KMOALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL7485610 0.94 MMP1 (0.41) KMOALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL7487181 0.93 KMO (0.39) KMOALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL7484254 0.93 KMO (0.39) KMOALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL7482509 0.92 KMO (0.38) KMOALDH1A1L3MBTL1KDM4EHPGD

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
WO-2000006560-A1 TRICYCLIC HETEROAROMATICS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 WO claimed
US-6350885-B1 TREATMENT OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURYSM, HEART FAILURE, LEFT VENTRICULAR DILATION, RESTENOSIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, TREATMENT OF BURNS, DECUBITAL ULCERS, WOUND HEALING AGENT WARNER-LAMBERT COMPANY 2002-02-26 US disclosed
WO-2000006560-A1 TRICYCLIC HETEROAROMATICS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed