SCHEMBL5751776

SCHEMBL5751776

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(-c4cccn4C)c(OC(C)=O)c4ccccc4c3O2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
BACE1 P56817 2/20 0.34
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL5751498 0.83 KDM4E (0.42) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL5754594 0.81 BACE1 (0.39) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL5752713 0.81 BACE1 (0.41) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL15254539 0.79 KDM4E (0.39) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL5750747 0.77 BACE1 (0.38) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL6169861 0.73 ATM (0.41) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL8978531 0.71 SMN1; SMN2 (0.36) KDM4EALDH1A1MAPTBACE1PDE4A
SCHEMBL14376849 0.71 L3MBTL1 (0.36) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL17929220 0.71 ALDH1A1 (0.36) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL6648587 0.70 HIF1A (0.33) KDM4ENPC1RAB9AALDH1A1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994871-B1 NOVEL SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2006-02-15 EP claimed
US-5658501-A Substituted naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1997-08-19 US claimed
US-10758643-B2 Mechanophoric medical product AESCULAP AG (DE) 2020-09-01 US disclosed
EP-3331581-B1 MECHANOPHORIC MEDICAL PRODUKT AESCULAP AG (DE) 2020-07-08 EP disclosed
US-20190151502-A1 Mechanophoric Medical Product AESCULAP AG (DE) 2019-05-23 US disclosed
EP-3331581-A1 MECHANOPHORIC MEDICAL PRODUCT Aesculap AG (DE) 2018-06-13 EP disclosed
WO-2017025408-A1 MECHANOPHORIC MEDICAL PRODUCT AESCULAP AG (DE) 2017-02-16 WO disclosed
EP-0994871-B1 NOVEL SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2006-02-15 EP disclosed
US-5658501-A Substituted naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1997-08-19 US disclosed