SCHEMBL7741276

SCHEMBL7741276

COC(=O)C(O)CCNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
MAOB P27338 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
NPC1 O15118 2/20 0.50
GAA P10253 2/20 0.50
PRMT5 O14744 1/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.46

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
SCHEMBL10099552 0.80 SMN1; SMN2 (0.67) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL7740350 0.79 CYP1A2 (0.47) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL9584535 0.77 CYP1A2 (0.78) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL6359975 0.74 CYP1A2 (0.68) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL11085118 0.73 NPC1 (0.63) NFKB1MEN1KMT2ANPC1GAA
SCHEMBL11085123 0.73 NPC1 (0.63) NFKB1MEN1KMT2ANPC1GAA
SCHEMBL26766869 0.73 RAB9A (0.65) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL11085125 0.73 NPC1 (0.63) NFKB1MEN1KMT2ANPC1GAA
SCHEMBL12929323 0.73 CYP1A2 (0.50) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL4618812 0.73 EPHX2 (0.79) CYP1A2TSHRNFKB1MAOBMEN1

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 2 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 disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed