SCHEMBL8996347

SCHEMBL8996347

CCC(=O)Oc1cccc2c1C(=O)c1c(OC(=O)CC)cc(-c3nnn[nH]3)cc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.43
HTR2A P28223 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ABCC4 O15439 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CHRM2 P08172 1/20 0.43
HSP90AB1 P08238 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 1/20 0.43
CHRM1 P11229 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
SLC6A2 P23975 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
SCHEMBL8996439 0.89 TTR (0.57) TTRHTR2AKDM4EMEN1ABCC4
SCHEMBL8996320 0.82 EGFR (0.45) MEN1ALDH1A1LMNAMAPTHTT
SCHEMBL27602059 0.74 ELANE (0.56) TTRHTR2AKDM4EMEN1ABCC4
SCHEMBL6367288 0.74 ELANE (0.55) TTRHTR2AKDM4EMEN1ABCC4
SCHEMBL8996327 0.73 ALDH1A1 (0.51) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL23655432 0.71 TTR (0.84) TTRHTR2AKDM4EMEN1ABCC4
SCHEMBL9008523 0.68 TTR (0.43) TTRHTR2AKDM4EMEN1ABCC4
SCHEMBL8996340 0.67 KDM4E (0.54) TTRHTR2AKDM4EMEN1ABCC4
Hydrochloric Acid SCHEMBL8996365 0.67 KDM4E (0.53) TTRHTR2AKDM4EMEN1ABCC4
SCHEMBL3292601 0.66 TTR (0.72) TTRHTR2AKDM4EMEN1ABCC4

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