SCHEMBL31322148

SCHEMBL31322148

OCN1CC(Cc2ccc(O)cc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.47
ESR2 Q92731 9/20 0.47
CAPN1 P07384 1/20 0.36
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
ADRA1D P25100 3/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1B P35368 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
OPRK1 P41145 1/20 0.34

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
SCHEMBL13621786 0.87 HDAC3 (0.36) ESR1ESR2
SCHEMBL31322158 0.87 HCRTR2 (0.37) ESR1ESR2OPRK1
SCHEMBL31322144 0.87 HTR6 (0.48) ESR1ESR2OPRK1
SCHEMBL31322157 0.83 L3MBTL1 (0.44)
SCHEMBL13632640 0.83 SIRT2 (0.43)
SCHEMBL31322118 0.81 CCR5 (0.39)
SCHEMBL16071303 0.80 DNM1 (0.33) ESR1ESR2
SCHEMBL13361987 0.69 LMNA (0.44) ESR2ADRA1AOPRK1
SCHEMBL30099079 0.66 NOTUM (0.41)
SCHEMBL31322121 0.65 CRBN (0.41)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4483866-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF CANCER Makrolife Biotech GmbH (DE) 2025-01-01 EP claimed
EP-4483866-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF CANCER Makrolife Biotech GmbH (DE) 2025-01-01 EP disclosed