SCHEMBL20143116

SCHEMBL20143116

COc1cc(C[n+]2ccc(-c3cc[n+](Cc4cc(C)cc(C(F)(F)F)c4)cc3)cc2)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ FGFR2 P21802 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ BCHE P06276 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ CHKA P35790 2/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL20143526 0.92 RXRA (0.44) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL18775301 0.89 KDM4E (0.45) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL18775293 0.83 KDM4E (0.40) KDM4EALDH1A1RAB9ABCHEACHE
SCHEMBL18775291 0.82 ALDH1A1 (0.43) KDM4EALDH1A1RAB9ACHKA
SCHEMBL18775303 0.79 PKM (0.44) RXRARXRBRXRGRAB9AACHE
SCHEMBL18775299 0.76 MRGPRX4 (0.46) KDM4EMEN1KMT2A
SCHEMBL18775290 0.73 KDM4E (0.56) KDM4EALDH1A1RAB9ABCHEACHE
SCHEMBL18775292 0.70 KDM4E (0.58) KDM4EALDH1A1RAB9ABCHEACHE
SCHEMBL257565 0.70 RXRA (0.43) RXRARXRBRXRGALDH1A1RAB9A
SCHEMBL19102940 0.68 ACHE (0.41) RXRARXRBRXRGKDM4EALDH1A1

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
US-9969931-B2 Electrochromic composition and electrochromic element CANON KABUSHIKI KAISHA (JP) 2018-05-15 — — US disclosed
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