SCHEMBL25876609

SCHEMBL25876609

COc1cc2c(O)cc3c(c2cc1Sc1ccccc1)-c1ccccc1C3(CCCC(F)(F)F)CCCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33

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
SCHEMBL25836781 0.84 TUBB4A (0.32)
SCHEMBL25875876 0.81 PDK2 (0.38) PDK2
SCHEMBL25875881 0.76 PDK2 (0.38) PDK2
SCHEMBL22058726 0.76 PARP1 (0.31) PDK2
SCHEMBL25954124 0.75 PARP1 (0.30)
SCHEMBL24403983 0.75 TUBB4A (0.31)
SCHEMBL24605275 0.75 TUBB4A (0.31)
SCHEMBL25876872 0.74 PDK2 (0.33) PDK2
SCHEMBL26629618 0.74 GAA (0.34) PDK2
SCHEMBL25875866 0.73 PTPN1 (0.35) PDK2

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