SCHEMBL25844445

SCHEMBL25844445

COc1ccc(C2(c3ccccc3)C=Cc3c4c(c5cc(N6CCOCC6)c(OC)cc5c3O2)-c2ccc(C)cc2C4(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
PRKDC P78527 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL15763099 0.97 PRKDC (0.32) MAPTTP53ALDH1A1PKMHTT
SCHEMBL25844442 0.96 ALDH1A1 (0.33) MAPTALDH1A1PKMHTTNPSR1
SCHEMBL25844455 0.95 ALDH1A1 (0.33) MAPTALDH1A1HTTKDM4EMAPK1
SCHEMBL25844458 0.95 PIK3CA (0.32) MAPTALDH1A1PKMHTTNPSR1
SCHEMBL25605054 0.93 ATM (0.32) MAPTALDH1A1HTTKDM4EMAPK1
SCHEMBL25605498 0.92 PIK3CA (0.34) MAPTKDM4EMAPK1PRKDCMEN1
SCHEMBL25844452 0.92 ALK (0.33) MAPTALDH1A1PKMHTTNPSR1
SCHEMBL25606356 0.91 PRKDC (0.35) MAPTTP53ALDH1A1KDM4EMAPK1
SCHEMBL1188005 0.91 ATM (0.33) MAPTALDH1A1HTTMAPK1PRKDC
SCHEMBL11995965 0.91 ATM (0.33) MAPTALDH1A1HTTMAPK1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227717-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-07-20 US disclosed