SCHEMBL7740799

SCHEMBL7740799

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.45
MDM2 Q00987 1/20 0.44
SLC2A1 P11166 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CNR1 P21554 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
ANPEP P15144 1/20 0.41
HDAC1 Q13547 1/20 0.40
LIMK2 P53671 1/20 0.40
MEP1B Q16820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
MMP1 P03956 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
SCHEMBL7740803 1.00 HSD17B2 (0.45) HSD17B2MDM2SLC2A1ALDH1A1LMNA
SCHEMBL7740143 0.92 HSD17B2 (0.46) HSD17B2SLC2A1LMNAMEN1KMT2A
SCHEMBL7740139 0.92 HSD17B2 (0.46) HSD17B2SLC2A1LMNAMEN1KMT2A
SCHEMBL7741234 0.88 KMT2A (0.45) HSD17B2SLC2A1ALDH1A1MEN1KMT2A
SCHEMBL7741239 0.88 KMT2A (0.45) HSD17B2SLC2A1ALDH1A1MEN1KMT2A
SCHEMBL7742504 0.81 MMP2 (0.49) MDM2ALDH1A1LMNACNR1MEN1
SCHEMBL7742508 0.81 MMP2 (0.49) MDM2ALDH1A1LMNACNR1MEN1
SCHEMBL7740919 0.79 HSD17B2 (0.39) HSD17B2SLC2A1ALDH1A1LMNAMEN1
SCHEMBL7740916 0.79 HSD17B2 (0.39) HSD17B2SLC2A1ALDH1A1LMNAMEN1
SCHEMBL7739608 0.77 LTA4H (0.43) LMNAMEN1KMT2AHDAC1SMN1; SMN2

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