SCHEMBL7567774

SCHEMBL7567774

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCCC(=O)NCCO[N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ TSHR P16473 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ HIF1A Q16665 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43

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
SCHEMBL7546789 0.83 ADORA3 (0.55) ADORA3ALDH1A1HSD17B10TSHRKMT2A
SCHEMBL7400294 0.82 MAPT (0.46) ADORA3ALDH1A1HSD17B10TSHRKMT2A
SCHEMBL7508983 0.80 HIF1A (0.52) TSHRKMT2AMEN1POLBLMNA
SCHEMBL7543877 0.79 MAPT (0.49) ADORA3ALDH1A1TSHRKMT2AHPGD
SCHEMBL7552681 0.78 KDM4E (0.62) ADORA3ALDH1A1HSD17B10TSHRHPGD
SCHEMBL7391021 0.76 ADORA3 (0.53) ADORA3ALDH1A1HSD17B10TSHRKMT2A
SCHEMBL7445582 0.76 HIF1A (0.59) TSHRKMT2AMEN1POLBLMNA
SCHEMBL7452042 0.75 HIF1A (0.56) TSHRKMT2AMEN1POLBLMNA
SCHEMBL7593821 0.75 ADORA3 (0.47) ADORA3ALDH1A1HSD17B10TSHRKMT2A
SCHEMBL9280838 0.75 HPGD (0.48) ADORA3ALDH1A1HSD17B10TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995013812-A1 USE OF SUBSTITUTED 1,4-DIHYDROPYRIDINE TO REDUCE INTRAOCULAR PRESSURE BYK NEDERLAND BV (NL) 1995-05-26 — — WO claimed
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