SCHEMBL8085651

SCHEMBL8085651

COc1ccc(C2(c3ccccc3F)C=Cc3ccc(-c4ccc(C)cc4)cc3C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
CYP3A4 P08684 1/20 0.35
MGAT2 Q10469 2/20 0.34
MAPT P10636 2/20 0.32
FLT3 P36888 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
BACE1 P56817 2/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
DYRK1A Q13627 1/20 0.32
EDNRA P25101 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALKBH3 Q96Q83 1/20 0.31
CHRM5 P08912 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL6689248 0.81 HDAC9 (0.33) MEN1KMT2ACHRM5
SCHEMBL9546931 0.74 MAOA (0.36) MEN1RAB9AKMT2A
SCHEMBL7455420 0.73 ACHE (0.37) CHRM5ACHE
SCHEMBL6689370 0.73 MAPT (0.35) MAPTMEN1NPC1KMT2AKDM4E
SCHEMBL6689781 0.72 OPRM1 (0.32)
SCHEMBL9113335 0.71 MAPT (0.36) MAPTCYP1A2NPC1RAB9AKMT2A
SCHEMBL5072171 0.68
SCHEMBL7729865 0.63 SLC6A2 (0.33)
SCHEMBL7972739 0.62 MAPT (0.43) MAPTMEN1RAB9AKMT2AKDM4E
SCHEMBL12871359 0.61 ABL1 (0.71) CYP3A4FLT3CYP1A2CYP2C19MEN1

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
EP-1042311-A1 PHOTOCHROMIC 6-ARYL SUBSTITUTED 3H-NAPHTHO 2,1-b]PYRANS TRANSITIONS OPTICAL, INC. (US) 2000-10-11 EP claimed
WO-1999031082-A1 PHOTOCHROMIC 6-ARYL SUBSTITUTED 3H-NAPHTHO[2,1-b]PYRANS TRANSITIONS OPTICAL, INC. (US) 1999-06-24 WO claimed
EP-3331581-A1 MECHANOPHORIC MEDICAL PRODUCT Aesculap AG (DE) 2018-06-13 EP disclosed
EP-1042311-A1 PHOTOCHROMIC 6-ARYL SUBSTITUTED 3H-NAPHTHO 2,1-b]PYRANS TRANSITIONS OPTICAL, INC. (US) 2000-10-11 EP disclosed
WO-1999031082-A1 PHOTOCHROMIC 6-ARYL SUBSTITUTED 3H-NAPHTHO[2,1-b]PYRANS TRANSITIONS OPTICAL, INC. (US) 1999-06-24 WO disclosed