SCHEMBL9825151

SCHEMBL9825151

CCOC(=O)c1cc2c3cccccc-3cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
HPGD P15428 7/20 0.51
KDM4E B2RXH2 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HSD17B10 Q99714 5/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 5/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP3 P42574 1/20 0.46
ATM Q13315 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
SLC9A1 P19634 2/20 0.45

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
SCHEMBL6018784 0.77 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL6018669 0.76 MAPK14 (0.65) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL13712428 0.75 F9 (0.59) SLC9A1F9
SCHEMBL14234474 0.75 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL829766 0.75 SLC9A1 (0.60) ALDH1A1HPGDKDM4EL3MBTL1SLC9A1
SCHEMBL9612657 0.74 SLC9A1 (0.56) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL13088494 0.74 HPGD (0.60) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL28744296 0.74 KDM4E (0.59) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL29913871 0.74 BCL2L1 (0.57) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL4405770 0.74 BCL2L1 (0.57) ALDH1A1HPGDKDM4ETDP1L3MBTL1

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed
EP-0187015-B1 SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME MITSUBISHI KASEI CORPORATION (JP) 1991-05-29 EP disclosed