SCHEMBL20143526

SCHEMBL20143526

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ PTGS1 P23219 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ FGFR2 P21802 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ BCHE P06276 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CHKA P35790 1/20 0.35
▸ TACR1 P25103 2/20 0.34
▸ GPR55 Q9Y2T6 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
SCHEMBL20143116 0.92 RXRA (0.41) RXRARXRBRXRGHSP90AA1HSP90AB1
SCHEMBL18775291 0.86 ALDH1A1 (0.43) KDM4EALDH1A1RAB9ACHKA
SCHEMBL18775301 0.79 KDM4E (0.45) RXRARXRBRXRGBCHEACHE
SCHEMBL18775293 0.76 KDM4E (0.40) BCHEACHEKDM4EALDH1A1RAB9A
SCHEMBL18783480 0.74 MRGPRX4 (0.49) —
SCHEMBL18775287 0.73 BCHE (0.58) BCHEACHEKDM4EALDH1A1RAB9A
SCHEMBL19102940 0.72 ACHE (0.41) RXRARXRBRXRGBCHEACHE
SCHEMBL367258 0.71 ACHE (0.44) HSP90AA1BCHEACHEALDH1A1
SCHEMBL7837346 0.71 CHKA (0.49) IDO1BCHEACHEKDM4EALDH1A1
SCHEMBL18775303 0.71 PKM (0.44) RXRARXRBRXRGACHERAB9A

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
Send feedback