SCHEMBL25836780

SCHEMBL25836780

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.37
ABCB1 P08183 2/20 0.37
BCR P11274 2/20 0.37
RAB9A P51151 3/20 0.37
KLK7 P49862 1/20 0.37
BACE1 P56817 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PPM1A P35813 1/20 0.36
PDK2 Q15119 1/20 0.34
SYK P43405 6/20 0.34
HSP90AA1 P07900 1/20 0.33
AURKB Q96GD4 2/20 0.33
INCENP Q9NQS7 2/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NOD2 Q9HC29 1/20 0.32
MEN1 O00255 2/20 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
SCHEMBL25837296 0.88 PDK2 (0.35) PDK2MAPTMAPK1MEN1KMT2A
SCHEMBL25875876 0.86 PDK2 (0.38) ABL1ABCB1BCRRAB9AKLK7
SCHEMBL25836771 0.85 ALDH1A1 (0.39) RAB9APDK2MAPTMAPK1MEN1
SCHEMBL10018213 0.84 HDAC4 (0.42) ABL1ABCB1BCRRAB9AKLK7
SCHEMBL25837574 0.81 GAA (0.36) PDK2HSP90AA1MAPTMEN1KMT2A
SCHEMBL13868679 0.79 RAB9A (0.38) ABL1ABCB1BCRRAB9AKLK7
SCHEMBL24604942 0.78 RAB9A (0.34) ABL1ABCB1BCRRAB9AKLK7
SCHEMBL13868637 0.78 RAB9A (0.37) ABL1ABCB1BCRRAB9AKLK7
SCHEMBL10292865 0.78 RAB9A (0.37) ABL1ABCB1BCRRAB9AKLK7
SCHEMBL24605259 0.78 RAB9A (0.35) ABL1ABCB1BCRRAB9AKLK7

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