SCHEMBL8996342

SCHEMBL8996342

COc1cccc2c1C(=O)c1c(OC)cc(C(=O)N(C)OCc3ccccc3)cc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TTR P02766 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ABCC4 O15439 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CHRM2 P08172 1/20 0.47
HSP90AB1 P08238 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAPT P10636 1/20 0.47
CHRM1 P11229 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL27383254 0.82 ELANE (0.44) ELANEMEN1KMT2AKDM4EUSP2
SCHEMBL8996333 0.82 MEN1 (0.53) ELANEMEN1KMT2ATTRKDM4E
SCHEMBL5085838 0.79 KEAP1 (0.52) ELANEMEN1KMT2ATTRKDM4E
SCHEMBL8996312 0.78 TTR (0.71) ELANEMEN1KMT2ATTRKDM4E
SCHEMBL8996338 0.75 MEN1 (0.55) ELANEMEN1KMT2ATTRKDM4E
SCHEMBL13479728 0.74 KMT2A (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL971641 0.73 KMT2A (0.60) MEN1KMT2ATTRKDM4EABCC4
SCHEMBL15413506 0.73 ELANE (0.53) ELANEMEN1KMT2ATTRKDM4E
SCHEMBL21657774 0.72 PTPRC (0.57) ELANEMEN1KMT2AUSP2ALDH1A1
SCHEMBL14588681 0.72 NPC1 (0.56) ELANEMEN1KMT2AKDM4EALDH1A1

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-5480873-A ARTHRITIS LILLY INDUSTRIES LIMITED (GB) 1996-01-02 US disclosed
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP disclosed