SCHEMBL26036026

SCHEMBL26036026

CC(C)=CCOCc1ccc(O)nc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
MAOB P27338 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
SCHEMBL16998546 0.83 ALDH1A1 (0.45) GAAKDM4EALDH1A1
SCHEMBL16998566 0.81 PIK3CA (0.33) GHSRMGAMGAASIMGAM2
SCHEMBL19788463 0.80 PIK3CD (0.38) GHSRMGAMGAASIMGAM2
SCHEMBL19002303 0.75 ALDH1A1 (0.35) ALDH1A1MAOB
SCHEMBL1971555 0.73 NPC1 (0.36) KDM4EALDH1A1
SCHEMBL381981 0.72 TSHR (0.54) KDM4EALDH1A1MAOB
Hydroquinone SCHEMBL8036006 0.70 GAA (0.42) MGAMGAASIMGAM2KDM4E
SCHEMBL20128708 0.69 ESR1 (0.35) ALDH1A1
SCHEMBL26036024 0.69 KDM4C (0.34)
SCHEMBL23222216 0.69 POLB (0.39) ALDH1A1

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