SCHEMBL9690862

SCHEMBL9690862

CCOC(=O)OC1=C(C)NC(C)=C(OC(=O)OCC)C1c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
PKM P14618 1/20 0.51
ADORA2B P29275 3/20 0.50
KDM4E B2RXH2 8/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
AGTR1 P30556 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CACNA1D Q01668 1/20 0.46

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
SCHEMBL11565945 0.85 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL9690374 0.82 PKM (0.46) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL10375453 0.81 KDM4E (0.44) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL1666306 0.81 ALDH1A1 (0.74) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL9690361 0.78 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL11500155 0.78 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1ADORA2B
SCHEMBL7322941 0.77 ADORA3 (0.58) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL9369030 0.72 CACNA1F (0.49) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL7815170 0.72 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL7384754 0.72 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1PKM

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
EP-0234516-B1 1,6-NAPHTHYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINE CONTAINING THEM FOR THE TREATMENT OF VASCULAR DISEASES GÖDECKE AKTIENGESELLSCHAFT (DE) 1992-04-29 EP disclosed
EP-0234516-A1 1,6-Naphthyridine derivatives, process for their preparation and medicine containing them for the treatment of vascular diseases GÖDECKE AKTIENGESELLSCHAFT (DE) 1987-09-02 EP disclosed