SCHEMBL7740916

SCHEMBL7740916

CCOCOCC(CC(Cc1cccc(OC)c1)C(=O)NO)N(C)C(=O)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
ANPEP P15144 1/20 0.37
HDAC1 Q13547 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC2A1 P11166 1/20 0.36
POLB P06746 2/20 0.35
RECQL P46063 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LIMK2 P53671 1/20 0.35
FPR1 P21462 2/20 0.35
TSPO P30536 1/20 0.35

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
SCHEMBL7740919 1.00 HSD17B2 (0.39) HSD17B2HPGDLMNAANPEPHDAC1
SCHEMBL7740143 0.87 HSD17B2 (0.46) HSD17B2HPGDLMNAANPEPHDAC1
SCHEMBL7740139 0.87 HSD17B2 (0.46) HSD17B2HPGDLMNAANPEPHDAC1
SCHEMBL7734784 0.83 HDAC1 (0.42) HPGDLMNAANPEPHDAC1KDM4E
SCHEMBL7734789 0.83 HDAC1 (0.42) HPGDLMNAANPEPHDAC1KDM4E
SCHEMBL7740799 0.79 HSD17B2 (0.45) HSD17B2HPGDLMNAANPEPHDAC1
SCHEMBL7740803 0.79 HSD17B2 (0.45) HSD17B2HPGDLMNAANPEPHDAC1
SCHEMBL7742596 0.78 NPC1 (0.36) HPGDALDH1A1MMP2MMP9
SCHEMBL7742592 0.78 NPC1 (0.36) HPGDALDH1A1MMP2MMP9
SCHEMBL7741234 0.76 KMT2A (0.45) HSD17B2HPGDANPEPMEN1ALDH1A1

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