SCHEMBL7740139

SCHEMBL7740139

COc1cccc(CC(CC(CO)N(C)C(=O)c2ccc(Br)cc2)C(=O)NO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 4/20 0.46
SLC2A1 P11166 1/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
RECQL P46063 1/20 0.41
ANPEP P15144 1/20 0.41
HDAC1 Q13547 1/20 0.41
LIMK2 P53671 1/20 0.40
LMNA P02545 1/20 0.40
MEP1B Q16820 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL7740143 1.00 HSD17B2 (0.46) HSD17B2SLC2A1HPGDPOLBRECQL
SCHEMBL7740803 0.92 HSD17B2 (0.45) HSD17B2SLC2A1HPGDPOLBRECQL
SCHEMBL7740799 0.92 HSD17B2 (0.45) HSD17B2SLC2A1HPGDPOLBRECQL
SCHEMBL7741234 0.88 KMT2A (0.45) HSD17B2SLC2A1HPGDPOLBRECQL
SCHEMBL7741239 0.88 KMT2A (0.45) HSD17B2SLC2A1HPGDPOLBRECQL
SCHEMBL7740916 0.87 HSD17B2 (0.39) HSD17B2SLC2A1HPGDPOLBRECQL
SCHEMBL7740919 0.87 HSD17B2 (0.39) HSD17B2SLC2A1HPGDPOLBRECQL
SCHEMBL7739608 0.86 LTA4H (0.43) HDAC1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7739612 0.86 LTA4H (0.43) HDAC1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7742654 0.81 MMP2 (0.50) HPGDANPEPHDAC1LMNAMEN1

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-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed