SCHEMBL7385229

SCHEMBL7385229

CCOC(=O)C(C(=O)OCC)C(=O)c1cccnc1C(=O)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.41
VNN1 O95497 1/20 0.40
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
EPHX2 P34913 1/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 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
Ether SCHEMBL7386687 0.86 PPARG (0.45) PPARGRXFP1NCOR2MAPTSMN1; SMN2
SCHEMBL2881107 0.79 ALDH1A1 (0.57) PPARGRXFP1NCOR2MAPTSMN1; SMN2
SCHEMBL7368578 0.77 CA1 (0.51) PPARGRXFP1NCOR2MAPTSMN1; SMN2
SCHEMBL1647591 0.76 P2RX7 (0.51) MAPTSMN1; SMN2HPGDHTTL3MBTL1
SCHEMBL2886364 0.73 ALDH1A1 (0.56) PPARGRXFP1NCOR2MAPTSMN1; SMN2
SCHEMBL492531 0.73 CYP2C19 (0.51) SMN1; SMN2LMNAL3MBTL1KMT2AALDH1A1
SCHEMBL7364122 0.72 KMT2A (0.52) PPARGRXFP1NCOR2MAPTSMN1; SMN2
SCHEMBL7837703 0.70 ALDH1A1 (0.47) RXFP1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2679986 0.69 KMT2A (0.55) PPARGRXFP1NCOR2MAPTLMNA
SCHEMBL7439343 0.69 KMT2A (0.63) PPARGRXFP1NCOR2MAPTSMN1; 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
EP-0714897-B1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMA CO LTD (JP) 2001-02-14 EP disclosed
US-5714479-A TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-03 US disclosed
EP-0714897-A1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 EP disclosed
US-5389620-A Bronchodilation agent, vasodilation BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 US disclosed