SCHEMBL8106974

SCHEMBL8106974

CCOC(=O)c1ccc(Nc2cc(C(C)(C)C)c3c(c2)C(C)(C)CO3)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.57
PTGS1 P23219 17/20 0.57
ALOX5 P09917 9/20 0.52
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC2A1 P11166 1/20 0.45

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
SCHEMBL7565083 0.88 RAB9A (0.47) MEN1THRBRAB9AKMT2ASLC2A1
SCHEMBL7570193 0.87 RAB9A (0.47) MEN1THRBRAB9AKMT2ASLC2A1
SCHEMBL7561719 0.84 RAB9A (0.44) MEN1THRBRAB9AKMT2ASLC2A1
SCHEMBL7570012 0.81 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7590623 0.79 RAB9A (0.54) MEN1THRBRAB9AKMT2ASLC2A1
SCHEMBL7563837 0.79 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL7789068 0.75 PTGS2 (0.74) PTGS2PTGS1ALOX5
SCHEMBL12124929 0.73 RAB9A (0.69) MEN1THRBRAB9AKMT2ASLC2A1
SCHEMBL7796089 0.73 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL6671775 0.73 PTGS2 (0.71) PTGS2PTGS1ALOX5

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-6093838-A FOR TREATING SKIN-RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, ECZEMA ALLERGAN SALES, INC. (US) 2000-07-25 US disclosed