SCHEMBL8160301

SCHEMBL8160301

CCCCCCCCCCCCc1cc(OO[Ti](OOc2cc(CCCCCCCCCCCC)c(CCCCCCCCCCCC)c(CCCCCCCCCCCC)c2CCCCCCCCCCCC)(OOc2cc(CCCCCCCCCCCC)c(CCCCCCCCCCCC)c(CCCCCCCCCCCC)c2CCCCCCCCCCCC)OOc2cc(CCCCCCCCCCCC)c(CCCCCCCCCCCC)c(CCCCCCCCCCCC)c2CCCCCCCCCCCC)c(CCCCCCCCCCCC)c(CCCCCCCCCCCC)c1CCCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.40
▸ ALOX5 P09917 11/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ TYR P14679 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP19A1 P11511 1/20 0.33

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
SCHEMBL8165994 1.00 HTR2A (0.40) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL8920641 0.85 HTR2A (0.41) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL8918392 0.85 HTR2A (0.41) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL10582531 0.80 HTR2A (0.42) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL10576579 0.80 HTR2A (0.42) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL9576111 0.79 HTR2A (0.41) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL29037315 0.78 ALOX5 (0.47) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL250347 0.78 ALOX5 (0.47) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL28701943 0.78 NPC1 (0.37) HTR2AALOX5PTGS2TYRHTT
SCHEMBL29659437 0.77 ALOX5 (0.46) ALOX5PTGS2TYRTSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6101308-A Composition for encapsulating signal transmission devices UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-08-08 — — US claimed
US-5940570-A CURABLE COMPOSITION COMPRISING AN EPOXY-FUNCTIONAL COMPOUND, A HYDROXY-FUNCTIONAL COMPOUND, AND A CURATIVE CATALYST, CABLES UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-08-17 — — US claimed
US-6101308-A Composition for encapsulating signal transmission devices UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-08-08 — — US disclosed
US-5940570-A CURABLE COMPOSITION COMPRISING AN EPOXY-FUNCTIONAL COMPOUND, A HYDROXY-FUNCTIONAL COMPOUND, AND A CURATIVE CATALYST, CABLES UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-08-17 — — US disclosed
US-5698631-A ROOM-TEMPERATURE CURABLE COMPOSITION OF HYDROXY-FUNCTIONAL COMPOUND, 1,2-EPOXY-FUNCTIONAL COMPOUND, AND CURATIVE CATALYST UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-12-16 — — US disclosed
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