SCHEMBL7740783

SCHEMBL7740783

O=C(O)CCCNC(=O)c1ccc(/C=C/c2ccc(Cl)cc2)o1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.50
HDAC1 Q13547 5/20 0.50
FABP4 P15090 1/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.42
HPGD P15428 3/20 0.41
TSHR P16473 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 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
SCHEMBL7740786 1.00 HDAC4 (0.50) HDAC4HDAC1FABP4LMNAL3MBTL1
SCHEMBL7740967 0.89 HDAC1 (0.52) HDAC4HDAC1RAB9AHPGDMAPT
SCHEMBL7740969 0.89 HDAC1 (0.52) HDAC4HDAC1RAB9AHPGDMAPT
SCHEMBL7742550 0.81 MAPK1 (0.60) HDAC4HDAC1FABP4CYP1A2TSHR
SCHEMBL7742552 0.81 MAPK1 (0.60) HDAC4HDAC1FABP4CYP1A2TSHR
SCHEMBL22046139 0.74 HDAC4 (0.62) HDAC4HDAC1HPGDTSHR
SCHEMBL11321936 0.72 MAPK1 (0.72) HDAC4HDAC1FABP4CYP1A2TSHR
SCHEMBL2662991 0.71 L3MBTL1 (0.63) HDAC4HDAC1LMNAL3MBTL1RAB9A
SCHEMBL7734655 0.69 HDAC1 (0.77) HDAC4HDAC1
SCHEMBL7734658 0.69 HDAC1 (0.77) HDAC4HDAC1

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
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
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