SCHEMBL13645559

SCHEMBL13645559

C=C=C(I)/C=C\c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ RAB9A P51151 6/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GMNN O75496 1/20 0.34
▸ PMP22 Q01453 1/20 0.34

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
SCHEMBL13816225 0.79 TSHR (0.43) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL8859640 0.73 ALDH1A1 (0.45) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL8349013 0.73 TSHR (0.45) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL2961735 0.73 TSHR (0.45) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL26539118 0.72 ALDH1A1 (0.43) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL17682919 0.72 TSHR (0.43) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL5598954 0.71 NFE2L2 (0.61) ALDH1A1TSHRRAB9AKDM4ETP53
SCHEMBL5598952 0.71 NFE2L2 (0.61) ALDH1A1TSHRRAB9AKDM4ETP53
SCHEMBL1589395 0.71 ALDH1A1 (0.62) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL1035353 0.71 ALDH1A1 (0.62) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108690-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-14 — — EP disclosed
EP-2096108-A1 Novel organic electroluminescent compounds and organic electroluminscent device using the same Gracel Display Inc. (KR) 2009-09-02 — — EP disclosed
EP-2067767-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-06-10 — — EP disclosed
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