SCHEMBL9538906

SCHEMBL9538906

CCC(=O)N1C/C(=C/N(C)C)C(=O)c2c1ccc(OCC(=O)OC)c2Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
IGF1R P08069 1/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CMA1 P23946 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
P2RY12 Q9H244 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9538910 1.00 ALDH1A1 (0.35) ALDH1A1L3MBTL1PTGDRPTGDR2LMNA
SCHEMBL9537796 0.82 HSD17B3 (0.33) HTTSMN1; SMN2KDM4E
SCHEMBL9537794 0.82 HSD17B3 (0.33) HTTSMN1; SMN2KDM4E
SCHEMBL9537750 0.79 POLB (0.36) ALDH1A1L3MBTL1MAPTKDM4EKMT2A
SCHEMBL9537756 0.79 POLB (0.36) ALDH1A1L3MBTL1MAPTKDM4EKMT2A
SCHEMBL9539028 0.77 KDM4E (0.40) ALDH1A1L3MBTL1PTGDRPTGDR2LMNA
SCHEMBL9539008 0.74 ALDH1A1 (0.35) ALDH1A1L3MBTL1PTGDRPTGDR2LMNA
SCHEMBL9539218 0.71 ADORA3 (0.41) ALDH1A1TSHRGAAHTTSMN1; SMN2
SCHEMBL9539213 0.71 ADORA3 (0.41) ALDH1A1TSHRGAAHTTSMN1; SMN2
SCHEMBL9537295 0.70 KMT2A (0.42) LMNAMAPTKMT2A

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-0180352-B1 BENZENE-FUSED HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-26 EP disclosed
US-4767780-A SUBSTITUTED 1,4-DIHYDRO-(1)-BENZOPYRANO(4,3-C)PYRAZOLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-30 US disclosed
US-4675324-A Substituted pyrazolo [4,3-c]pyridines and their use as uricosuric, diuretic and anti-hypertensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-23 US disclosed
EP-0180352-A2 Benzene-fused heterocyclic compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed