SCHEMBL8091069

SCHEMBL8091069

CCOC(=O)Cc1ccc2c(c1)CC(n1ccnc1C(=O)OCC)C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPK1 P28482 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRA5 P31644 2/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL7834401 0.92 TBXAS1 (0.36) TBXAS1ALDH1A1HPGDGAAMAPT
SCHEMBL8880656 0.87 METAP1 (0.38) ALDH1A1HPGDGAAMAPTHSD17B10
SCHEMBL8880066 0.85 HRH1 (0.43) ALDH1A1MAPTMEN1KMT2AADORA3
SCHEMBL8881385 0.85 GABRG2 (0.41) ALDH1A1HPGDGAAMAPTHSD17B10
SCHEMBL8880563 0.85 GABRG2 (0.38) ALDH1A1HPGDGAAMAPTHSD17B10
SCHEMBL8097517 0.84 KMT2A (0.43) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL8090657 0.84 GABRA1 (0.33) ALDH1A1HPGDGAAMAPTHSD17B10
SCHEMBL8881176 0.84 CYP19A1 (0.43) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL8317441 0.83 GABRA1 (0.41) ALDH1A1HPGDGAAMAPTHSD17B10
SCHEMBL8879965 0.83 MAPT (0.46) ALDH1A1HPGDGAAMAPTHSD17B10

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
US-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5902803-A 5H,10H-imidazo 1,2-a!indeno 1,2-e!pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE-POULENC RORER S.A. (FR) 1999-05-11 US disclosed