SCHEMBL25875876

SCHEMBL25875876

COc1ccc(-c2cc3c4c(cc(O)c3cc2OC)C(CCCC(F)(F)F)(CCCC(F)(F)F)c2ccccc2-4)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.38
PPM1A P35813 1/20 0.35
KLK7 P49862 1/20 0.34
RAB9A P51151 1/20 0.34
BACE1 P56817 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
MOGAT2 Q3SYC2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ABL1 P00519 2/20 0.32
ABCB1 P08183 2/20 0.32
BCR P11274 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
LTB4R Q15722 1/20 0.32
SYK P43405 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
SCHEMBL25836780 0.86 ABL1 (0.37) PDK2PPM1AKLK7RAB9ABACE1
SCHEMBL25876872 0.84 PDK2 (0.33) PDK2
SCHEMBL25875881 0.82 PDK2 (0.38) PDK2MMP2MMP9MMP8MMP13
SCHEMBL25876609 0.81 PDK2 (0.33) PDK2
SCHEMBL25875879 0.81 PDK2 (0.39) PDK2RAB9A
SCHEMBL10018213 0.80 HDAC4 (0.42) PDK2PPM1AKLK7RAB9ABACE1
SCHEMBL25876827 0.80 PDK2 (0.42) PDK2PPM1A
SCHEMBL13868679 0.75 RAB9A (0.38) PDK2PPM1AKLK7RAB9ABACE1
SCHEMBL24604942 0.74 RAB9A (0.34) PDK2PPM1AKLK7RAB9ABACE1
SCHEMBL10292865 0.74 RAB9A (0.37) PDK2PPM1AKLK7RAB9ABACE1

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-2023140186-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-27 WO disclosed