SCHEMBL27363652

SCHEMBL27363652

CCC(O)n1c(=O)oc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
IDO1 P14902 4/20 0.45
LMNA P02545 2/20 0.45
MIF P14174 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ASAH1 Q13510 1/20 0.41

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
SCHEMBL29591678 0.78 MAPK1 (0.52) MAPK1HPGDTSHRUSP2ALDH1A1
SCHEMBL2600306 0.78 MAPK1 (0.52) MAPK1HPGDTSHRUSP2ALDH1A1
SCHEMBL20812687 0.75 MAPK1 (0.49) MAPK1HPGDTSHRUSP2ALDH1A1
SCHEMBL18258621 0.74 IDO1 (0.50) MAPK1HPGDTSHRUSP2ALDH1A1
SCHEMBL18258625 0.74 IDO1 (0.50) MAPK1HPGDTSHRUSP2ALDH1A1
SCHEMBL29460937 0.74 ALDH1A1 (0.46) MAPK1HPGDTSHRUSP2ALDH1A1
SCHEMBL13946119 0.74 LMNA (0.42) MAPK1HPGDTSHRUSP2ALDH1A1
SCHEMBL5558970 0.73 HPGD (0.51) MAPK1HPGDTSHRUSP2ALDH1A1
SCHEMBL11157197 0.71 MAPK1 (0.45) MAPK1HPGDTSHRUSP2ALDH1A1
SCHEMBL20877672 0.71 MAPK1 (0.41) MAPK1HPGDTSHRUSP2ALDH1A1

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
CN-1056497-A Indolone and relevant derivative with neuroprotective PFIZER (US) 1991-11-27 CN disclosed