SCHEMBL5352012

SCHEMBL5352012

Bc1c(F)ccc(OC)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA4 P22748 1/20 0.35
NFE2L2 Q16236 2/20 0.34
KDM1A O60341 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 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
SCHEMBL15685342 0.78 HTR2A (0.41) TUBB1HTR2AHTR2CHTR2BMAPK1
SCHEMBL802723 0.78 HTR2A (0.44) TUBB1HTR2AHTR2CHTR2BLMNA
SCHEMBL15682035 0.77 CA2 (0.47) TUBB1LMNAMAPK1HTTRAB9A
SCHEMBL8240850 0.74 TUBB1 (0.43) TUBB1HTR2AHTR2CHTR2BLMNA
SCHEMBL7960327 0.74 MEP1B (0.41) TUBB1HTR2AHTR2CHTR2BLMNA
SCHEMBL25168763 0.74 TUBB1 (0.37) TUBB1HTR2AHTR2CHTR2BLMNA
SCHEMBL5395348 0.74 HTR2A (0.42) TUBB1HTR2AHTR2CHTR2BLMNA
SCHEMBL30536684 0.74 MEP1B (0.41) TUBB1HTR2AHTR2CHTR2BLMNA
SCHEMBL29512955 0.74 HTR2A (0.42) TUBB1HTR2AHTR2CHTR2BLMNA
SCHEMBL25565386 0.74 PTGS2 (0.33) TUBB1GAAKMT2AACHEPTGS2

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-7217676-B2 Hydrophobization and silica for supported catalyst EXXON MOBIL CHEMICAL PATENTS INC. (US) 2007-05-15 US disclosed
EP-1704171-A2 HYDROPHOBIZATION AND SILICA FOR SUPPORTED CATALYST ExxonMobil Chemical Patents Inc. (US) 2006-09-27 EP disclosed
WO-2005075526-A2 HYDROPHOBIZATION AND SILICA FOR SUPPORTED CATALYST EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-08-18 WO disclosed
US-20050159299-A1 Hydrophobization and silica for supported catalyst EXXONMOBIL CHEMICAL PATENTS INC. 2005-07-21 US disclosed