SCHEMBL28964348

SCHEMBL28964348

CC(C)(C)c1cc(C(=O)O)c(-c2ccc(O)cc2)c(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
HSD17B10 Q99714 2/20 0.41
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
POLB P06746 1/20 0.38
DHODH Q02127 3/20 0.37
RARG P13631 2/20 0.37
RARB P10826 1/20 0.37
TNFRSF1A P19438 1/20 0.37
PREP P48147 2/20 0.36
CELA1 Q9UNI1 1/20 0.36
RXRB P28702 1/20 0.36
SENP1 Q9P0U3 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL4966490 0.90 AKR1C2 (0.51) GLRA3GLRBHSD17B10AKR1C2AKR1C1
SCHEMBL30272446 0.90 GLRA3 (0.45) GLRA3GLRBAKR1C2AKR1C1CA1
SCHEMBL11876688 0.90 GLRA3 (0.45) GLRA3GLRBAKR1C2AKR1C1CA1
SCHEMBL11434211 0.89 AKR1C2 (0.44) GLRA3GLRBHSD17B10AKR1C2AKR1C1
SCHEMBL11015790 0.87 GLRA3 (0.42) GLRA3GLRBAKR1C2AKR1C1CA1
SCHEMBL6516651 0.82 AKR1C2 (0.52) HSD17B10AKR1C2AKR1C1DHODHRARG
SCHEMBL6013951 0.80 RARB (0.52) AKR1C2AKR1C1RARGRARBALDH1A1
SCHEMBL12978583 0.78 GLRA3 (0.42) GLRA3GLRBCA2TNFRSF1AALDH1A1
SCHEMBL6395108 0.78 RXRB (0.47) GLRA3GLRBHSD17B10AKR1C2AKR1C1
SCHEMBL27716443 0.77 GLRA3 (0.55) GLRA3GLRBAKR1C2AKR1C1CA1

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
CN-111295419-B Molded article 古河电气工业株式会社 2023-03-10 CN disclosed