SCHEMBL30483000

SCHEMBL30483000

CC1(C)OB(c2ccc(O)c(C(=O)c3ccc(C#N)cc3)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.40
CA1 P00915 8/20 0.37
CA2 P00918 8/20 0.37
CA9 Q16790 6/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.36
P4HB P07237 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
RXRA P19793 1/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
ESR2 Q92731 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
SCHEMBL2932908 0.83 P4HB (0.50) HIF1ACA1CA2CA9P4HB
SCHEMBL14995786 0.76 HIF1A (0.45) HIF1ACA1CA2CA9P4HB
SCHEMBL18241170 0.76 CSNK2A1 (0.47) HIF1ACA1CA2CA9P4HB
SCHEMBL30483081 0.75 HIF1A (0.46) HIF1ACA1CA2CA9P4HB
SCHEMBL25981432 0.75 LIG1 (0.54) CA1CA2CA9P4HBCA12
SCHEMBL476909 0.75 LPL (0.53) CA1CA2CA9P4HBALDH1A1
SCHEMBL25994215 0.74 CSNK2A1 (0.50) CA1CA2P4HBALDH1A1PKM
SCHEMBL16828504 0.74 CA1 (0.48) HIF1ACA1CA2CA9P4HB
SCHEMBL4745737 0.73 ESR2 (0.41) HIF1ACA1CA2CA9CA12
SCHEMBL18252711 0.72 CA1 (0.53) HIF1ACA1CA2CA9CA12

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-4168411-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed