SCHEMBL20058311

SCHEMBL20058311

C=Cc1ccc(-c2ccc3oc(-c4cc(-c5ccc(CC)cc5)c5ccc6ccc(-c7ccc(C)cc7)c7ccc4c5c67)nc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.40
▸ ALDH1A1 P00352 11/20 0.38
▸ SMN1; SMN2 Q16637 11/20 0.38
▸ RAB9A P51151 10/20 0.38
▸ KDM4E B2RXH2 9/20 0.38
▸ NPC1 O15118 9/20 0.38
▸ MAPT P10636 8/20 0.38
▸ HPGD P15428 8/20 0.38
▸ TP53 P04637 7/20 0.38
▸ HSD17B10 Q99714 6/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ NFKB1 P19838 3/20 0.38
▸ NFKB2 Q00653 3/20 0.38
▸ RELA Q04206 3/20 0.38
▸ GAA P10253 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL20107154 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL20058290 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL12776997 0.81 KDM4E (0.45) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL12777060 0.81 KDM4E (0.58) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL12380351 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL12777047 0.77 KDM4E (0.43) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL12777192 0.77 KDM4E (0.53) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL12777201 0.76 KDM4E (0.48) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL12777046 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL2296437 0.76 KDM4E (0.51) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1

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
EP-1942171-B1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2018-04-18 — — EP disclosed
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