SCHEMBL7454979

SCHEMBL7454979

COc1ccc(C2(c3ccc4c(c3)CC(C)O4)C=Cc3ccc(N4CCOCC4)cc3C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
MAPT P10636 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
AKR1C3 P42330 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PRKDC P78527 1/20 0.33
AKT1 P31749 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ADAM17 P78536 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL6360325 0.87 MAPT (0.43) FAAHMAPTL3MBTL1RAB9AKMT2A
SCHEMBL7972739 0.77 MAPT (0.43) MAPTL3MBTL1RAB9AKMT2AMEN1
SCHEMBL8107555 0.75 TMEM97 (0.43) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL6687407 0.74 TMEM97 (0.44) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL5158515 0.71 TMEM97 (0.42) MAPTALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL7967548 0.69 MAPT (0.41) MAPTL3MBTL1RAB9AKMT2AMEN1
SCHEMBL6801243 0.68 RAB9A (0.37) L3MBTL1RAB9AALDH1A1KDM4EPOLB
SCHEMBL28097254 0.68 AKR1C3 (0.44) FAAHMAPTL3MBTL1RAB9AKMT2A
SCHEMBL9032769 0.66 RAB9A (0.43) MAPTL3MBTL1RAB9AKMT2AMEN1
SCHEMBL24310659 0.65 HTR3A (0.49) MAPTRAB9AKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0890119-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOSITIONS OF NEUTRAL COLOR TRANSITIONS OPTICAL INC (US) 2002-07-17 EP disclosed
EP-0890119-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOSITIONS OF NEUTRAL COLOR TRANSITIONS OPTICAL, INC. (US) 1999-01-13 EP disclosed
WO-1997037254-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOSITIONS OF NEUTRAL COLOR TRANSITIONS OPTICAL, INC. (US) 1997-10-09 WO disclosed