SCHEMBL12961102

SCHEMBL12961102

CC(C)(C)c1ccc(Oc2ccc3[nH]c(C(C)(C)C)nc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ BCHE P06276 4/20 0.41
▸ ACHE P22303 4/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2E1 P05181 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL846855 0.82 SCN10A (0.58) SCN10AKCNH2ALDH1A1MAPTHPGD
SCHEMBL2733195 0.81 CYP1A2 (0.47) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL18629758 0.78 TRPV1 (0.63) TRPV1HDAC6
SCHEMBL18659785 0.78 TRPV1 (0.50) SCN10AKCNH2ALDH1A1RAB9ANPC1
SCHEMBL7810443 0.77 KMT2A (0.45) CYP1A2CYP3A4CYP2C9CYP2C19CYP2E1
SCHEMBL20681738 0.76 CHEK2 (0.53) TRPV1HDAC6
SCHEMBL22383438 0.76 KCNH2 (0.32) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10284433 0.75 KIF11 (0.47) SCN10AKCNH2ALDH1A1MAPTHPGD
SCHEMBL4364801 0.75 RAF1 (0.58) CYP3A4FGFR2RAF1BRAF
SCHEMBL23619188 0.74 ALDH1A1 (0.47) SCN10AKCNH2ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8323809-B2 Fuel cell electrolyte membrane with basic polymer 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-12-04 — — US disclosed
US-20110000615-A1 FUEL CELL ELECTROLYTE MEMBRANE WITH BASIC POLYMER 3M INNOVATIVE PROPERTIES COMPANY 2011-01-06 — — US disclosed
Send feedback