SCHEMBL26036024

SCHEMBL26036024

CC(C)=CCOCc1ccc(OC2CCCCO2)nc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.34
DHFR P00374 1/20 0.34
SCN9A Q15858 2/20 0.34
SCN5A Q14524 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTPN1 P18031 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
ACACB O00763 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ENPP2 Q13822 1/20 0.31
TGFBR1 P36897 1/20 0.30

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
SCHEMBL16998547 0.86 KDM4C (0.39) KDM4CNPC1RAB9AL3MBTL1ICAM1
SCHEMBL26035826 0.86 KDM4C (0.39) KDM4CNPC1RAB9AL3MBTL1ICAM1
SCHEMBL16998553 0.84 KDM4C (0.43) KDM4CDHFRNPC1RAB9AL3MBTL1
SCHEMBL16998565 0.81 KDM4C (0.44) KDM4CNPC1RAB9AL3MBTL1ICAM1
SCHEMBL12380457 0.70 ICAM1 (0.39) KDM4CDHFRNPC1RAB9APTPN1
SCHEMBL26036026 0.69 GHSR (0.32)
SCHEMBL12306794 0.67 MEN1 (0.37) KDM4CNPC1RAB9APTPN1L3MBTL1
SCHEMBL16998566 0.67 PIK3CA (0.33) NPC1RAB9A
SCHEMBL26036028 0.67 KDM4C (0.43) KDM4CNPC1RAB9AL3MBTL1ICAM1
SCHEMBL19788463 0.66 PIK3CD (0.38) NPC1RAB9AMEN1KMT2A

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
EP-3058960-B1 DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER HAMAMATSU PHOTONICS KK (JP) 2023-08-30 EP disclosed