SCHEMBL10550500

SCHEMBL10550500

O=C(O)C1CC(C(=O)O)(c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.57
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
ALOX15 P16050 2/20 0.47
HSD11B1 P28845 2/20 0.44
HDAC4 P56524 3/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 3/20 0.42
TET3 O43151 1/20 0.42
FBXL19 Q6PCT2 1/20 0.42
CXXC5 Q7LFL8 1/20 0.42
TET1 Q8NFU7 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CXXC4 Q9H2H0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
MEN1 O00255 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL7039206 0.85 ALOX15 (0.44) AKR1C1OPRM1OPRL1ALOX15CYP2C19
SCHEMBL10553255 0.83 ALDH1A1 (0.42) AKR1C1OPRM1OPRL1ALOX15CYP2C19
SCHEMBL10553259 0.83 ALDH1A1 (0.42) AKR1C1OPRM1OPRL1ALOX15CYP2C19
SCHEMBL15215644 0.82 AKR1C1 (0.59) AKR1C1OPRM1OPRL1ALOX15HSD11B1
SCHEMBL17222224 0.82 AKR1C1 (0.59) AKR1C1OPRM1OPRL1ALOX15HSD11B1
SCHEMBL10477046 0.81 AKR1C1 (0.63) AKR1C1OPRM1OPRL1ALOX15HSD11B1
SCHEMBL8106538 0.80 AKR1C1 (0.57) AKR1C1OPRM1OPRL1ALOX15HSD11B1
SCHEMBL8112628 0.80 AKR1C1 (0.57) AKR1C1OPRM1OPRL1ALOX15HSD11B1
SCHEMBL7653247 0.80 AKR1C1 (0.57) AKR1C1OPRM1OPRL1ALOX15HSD11B1
SCHEMBL8110723 0.80 AKR1C1 (0.57) AKR1C1OPRM1OPRL1ALOX15HSD11B1

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
US-4857660-A ENZYME INHIBITORS, ANTICANCER AGENTS CIBA-GEIGY CORPORATION (US) 1989-08-15 US disclosed