SCHEMBL9764610

SCHEMBL9764610

O=C1OC(c2cccc3ccccc23)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 2/20 0.51
HPGD P15428 2/20 0.51
TDP2 O95551 1/20 0.51
ALOX12 P18054 1/20 0.51
CASP3 P42574 1/20 0.51
HTT P42858 1/20 0.51
GALK1 P51570 1/20 0.51
BLM P54132 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.49
CA1 P00915 1/20 0.43
CA2 P00918 1/20 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
SCHEMBL675941 0.83 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL31616887 0.81 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL15900528 0.81 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL20194327 0.81 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL230857 0.78 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL11545008 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDNPSR1L3MBTL1
SCHEMBL28688382 0.74 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ECA1CA2
SCHEMBL28446814 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EMAPK1CASP3BLM
SCHEMBL2334033 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL9191686 0.74 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EBLMNPSR1

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
US-5066633-A Sensitizer for heat sensitive paper coatings GRAPHIC CONTROLS CORPORATION (US) 1991-11-19 US disclosed