SCHEMBL9112835

SCHEMBL9112835

COc1cc(C=CC(=O)c2ccc(O)cc2)cc(OC)c1C(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 3/20 0.62
F3 P13726 2/20 0.62
P4HB P07237 1/20 0.62
CALM1 P0DP23 1/20 0.62
RAB9A P51151 1/20 0.62
XDH P47989 1/20 0.62
CA1 P00915 4/20 0.62
CA2 P00918 4/20 0.62
CTSL P07711 3/20 0.61
ABCG2 Q9UNQ0 2/20 0.59
CAPN1 P07384 3/20 0.59
CTSB P07858 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
KRAS P01116 4/20 0.58
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL9110869 0.89 KRAS (0.73) MAPTMEN1KMT2AALDH1A1F3
SCHEMBL9110801 0.88 F3 (0.56) MAPTMEN1KMT2AALDH1A1F3
SCHEMBL9112453 0.86 F3 (0.54) MAPTMEN1KMT2AALDH1A1F3
SCHEMBL9112491 0.86 MAOB (0.64) MAPTMEN1KMT2AALDH1A1F3
SCHEMBL5653173 0.85 KRAS (0.79) MAPTMEN1KMT2AALDH1A1CA1
SCHEMBL5653179 0.85 KRAS (0.79) MAPTMEN1KMT2AALDH1A1CA1
SCHEMBL9113404 0.84 ABCG2 (0.66) MAPTMEN1KMT2AALDH1A1F3
SCHEMBL9113734 0.84 MAPT (0.76) MAPTKMT2AALDH1A1RAB9AABCG2
SCHEMBL9114071 0.83 ABCG2 (0.68) MAPTMEN1KMT2AALDH1A1F3
SCHEMBL25198557 0.82 CAPN1 (0.81) CA1CA2CTSLCAPN1CTSB

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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed