SCHEMBL25838223

SCHEMBL25838223

C#CC(O)(c1ccc(N2CCOCC2)cc1)c1ccc(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
PKM P14618 1/20 0.49
HIF1A Q16665 2/20 0.48
THRB P10828 1/20 0.45
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSK3B P49841 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 3/20 0.42
MCHR1 Q99705 1/20 0.42
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL30859286 0.90 MEN1 (0.43) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL1816385 0.90 KMT2A (0.49) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL27165401 0.90 MEN1 (0.43) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL30859290 0.90 MEN1 (0.43) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL13868731 0.85 AKR1C3 (0.41) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL163753 0.85 AKR1C3 (0.52) MAPTALDH1A1KMT2ASMN1; SMN2GSK3B
SCHEMBL27165409 0.85 AKR1C3 (0.52) MAPTALDH1A1KMT2ASMN1; SMN2GSK3B
SCHEMBL24620659 0.84 MAPT (0.47) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL25954142 0.84 MAPT (0.47) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL9928200 0.82 MEN1 (0.44) MAPTALDH1A1MEN1KMT2AHPGD

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