SCHEMBL7370093

SCHEMBL7370093

COc1ccc(CN)c(C(=O)OC(C)(C)C)c1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM6 O15303 1/20 0.39
▸ MTNR1A P48039 5/20 0.39
▸ MTNR1B P49286 5/20 0.39
▸ NR1H2 P55055 3/20 0.38
▸ NR1H3 Q13133 3/20 0.38
▸ RXRA P19793 1/20 0.38
▸ KLKB1 P03952 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ ITGA4 P13612 1/20 0.35
▸ ITGB7 P26010 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ IDO1 P14902 1/20 0.34

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
SCHEMBL6233313 0.74 HIF1A (0.42) GRM6MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL1679003 0.73 NR1H2 (0.73) NR1H2NR1H3RXRA
SCHEMBL786629 0.72 IDO1 (0.44) KLKB1KDM4EALDH1A1HSD17B10IDO1
SCHEMBL8125743 0.71 GRM6 (0.36) GRM6MTNR1AMTNR1BNR1H2NR1H3
SCHEMBL31617785 0.70 NR1H2 (0.41) GRM6MTNR1AMTNR1BNR1H2NR1H3
SCHEMBL28246610 0.70 DUSP3 (0.41) GRM6NR1H2NR1H3RXRAKLKB1
SCHEMBL5841080 0.70 SLC7A5 (0.42) GRM6NR1H2NR1H3RXRAKDM4E
SCHEMBL10724743 0.69 MTNR1A (0.43) MTNR1AMTNR1BKDM4EALDH1A1POLB
SCHEMBL30755354 0.69 GRM6 (0.42) GRM6MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL4730972 0.69 LOXL2 (0.40) KDM4EALDH1A1HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 — — US disclosed
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 — — EP disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 — — US disclosed
EP-0706517-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-04-17 — — EP disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 — — WO disclosed
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