SCHEMBL25836771

SCHEMBL25836771

COCCC1(CCOC)c2ccccc2-c2c1cc(O)c1cc(OC)c(-c3ccc(N4CCOCC4)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FYN P06241 2/20 0.38
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HCRTR1 O43613 1/20 0.35
PTPN1 P18031 1/20 0.35
TSHR P16473 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL25875879 0.89 PDK2 (0.39) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL25837612 0.88 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL25836761 0.88 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL25836780 0.85 ABL1 (0.37) MAPTKDM4ELMNANPC1RAB9A
SCHEMBL10293036 0.82 FYN (0.40) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL13868678 0.82 FYN (0.40) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL25954116 0.82 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL25837296 0.81 PDK2 (0.35) MAPTHPGDMEN1KMT2ATSHR
SCHEMBL24605102 0.80 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL26629591 0.78 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDLMNA

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
WO-2023136213-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-20 WO disclosed