SCHEMBL8445339

SCHEMBL8445339

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(cc(OC(C)=O)c4ccccc34)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HIF1A Q16665 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34

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
SCHEMBL8722690 0.90 HTT (0.43) HTTTSHRALDH1A1KDM4EMAPT
SCHEMBL8724020 0.88 MAPT (0.41) TSHRALDH1A1KDM4EMAPTNPC1
SCHEMBL7553115 0.87 PDE4D (0.39) HTTTSHRALDH1A1KDM4EMAPT
SCHEMBL8311131 0.82 EP300 (0.35) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL5094598 0.80 HTT (0.37) HTTTSHRALDH1A1KDM4EMAPT
SCHEMBL8727667 0.80 GABRA1 (0.34) HTTALDH1A1KDM4EMAPTNPC1
SCHEMBL8782636 0.79 GPR84 (0.39) BACE1ALDH1A1KDM4EMAPTNPC1
SCHEMBL3701217 0.78 ACACA (0.43) BACE1TSHRALDH1A1KDM4EMAPT
SCHEMBL5615531 0.77 ALDH1A1 (0.43) HTTALDH1A1KDM4EMAPTNPC1
SCHEMBL5751498 0.76 KDM4E (0.42) BACE1HTTTSHRALDH1A1KDM4E

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-5744070-A Photochromic substituted naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1998-04-28 US claimed
EP-0954761-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG Industries Ohio, Inc. (US) 1999-11-10 EP disclosed
EP-0954761-A4 1999-11-10 EP disclosed
US-5744070-A Photochromic substituted naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1998-04-28 US disclosed
WO-1997022895-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1997-06-26 WO disclosed