SCHEMBL17174119

SCHEMBL17174119

c1ccc(Oc2ccc(-c3ccc4ccc5ccc(-c6cc(Oc7ccccc7)cc(-c7ccc8ccc9ccc(-c%10ccc(Oc%11ccccc%11)cc%10)nc9c8n7)c6)nc5c4n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GSTP1 P09211 1/20 0.46
▸ MCL1 Q07820 4/20 0.44
▸ XDH P47989 1/20 0.44
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ DHODH Q02127 2/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL17174117 0.98 MCL1 (0.47) NPC1RAB9AGSTP1MCL1XDH
SCHEMBL17174120 0.90 MCL1 (0.48) NPC1RAB9AGSTP1MCL1XDH
SCHEMBL17174130 0.90 MCL1 (0.48) NPC1RAB9AGSTP1MCL1XDH
SCHEMBL17178155 0.89 P2RX3 (0.45) GSTP1MCL1MAPK1TDP1ALDH1A1
SCHEMBL11962332 0.89 MCL1 (0.47) NPC1RAB9AGSTP1MCL1XDH
SCHEMBL11962279 0.88 RAB9A (0.50) NPC1RAB9AGSTP1MCL1XDH
SCHEMBL17178156 0.85 MAP4K4 (0.46) RAB9AGSTP1MCL1MAPK1TDP1
SCHEMBL17146621 0.85 CCR1 (0.46) RAB9AGSTP1TDP1SMN1; SMN2KDM4E
SCHEMBL17146619 0.82 TOP1 (0.49) RAB9ATDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL17174121 0.82 P2RX3 (0.45) XDHKDM4EALDH1A1DHODHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9748593-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same TORAY INDUSTRIES, INC. (JP) 2017-08-29 — — US disclosed
US-9748593-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same TORAY INDUSTRIES, INC. (JP) 2017-08-29 — — US disclosed
US-20150295262-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME TORAY INDUSTRIES, INC. (JP) 2015-10-15 — — US disclosed
US-20150295262-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME TORAY INDUSTRIES, INC. (JP) 2015-10-15 — — US disclosed
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