SCHEMBL7739615

SCHEMBL7739615

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAOB P27338 1/20 0.42
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
FABP2 P12104 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRMT5 O14744 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7740350 0.85 CYP1A2 (0.47) MEN1KMT2ACYP1A2TSHRNFKB1
SCHEMBL5628818 0.77 CYP1A2 (0.54) MEN1KMT2ACYP1A2TSHRNFKB1
SCHEMBL7740225 0.75 SIGMAR1 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL7741276 0.74 CYP1A2 (0.54) MEN1KMT2ACYP1A2TSHRNFKB1
SCHEMBL10287615 0.73 CYP1A2 (0.55) MEN1KMT2ACYP1A2TSHRNFKB1
SCHEMBL7741193 0.70 TMEM97 (0.47) MEN1KMT2ACYP1A2TSHRNFKB1
SCHEMBL10099552 0.69 SMN1; SMN2 (0.67) MEN1KMT2ACYP1A2TSHRNFKB1
SCHEMBL2669817 0.69 GCGR (0.46) MEN1KMT2ACYP1A2TSHRNFKB1
SCHEMBL7742567 0.68 TMEM97 (0.46) MEN1KMT2ASMN1; SMN2GAANPC1
SCHEMBL16380444 0.68 TMEM97 (0.53) MEN1KMT2ACYP1A2TSHRNFKB1

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