SCHEMBL11323932

SCHEMBL11323932

CCOC(=O)c1c(-c2ccccc2)cc(O)c(C(=O)O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
ALDH1A1 P00352 9/20 0.49
GAA P10253 8/20 0.49
HPGD P15428 6/20 0.49
KDM4E B2RXH2 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP3A4 P08684 2/20 0.49
ATM Q13315 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL22699377 0.83 NR1H2 (0.66) CA12CA1CA2CA7CA9
SCHEMBL11317724 0.82 BACE1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL22730641 0.82 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL7664292 0.82 ALOX5 (0.56) CA12CA1CA2CA7CA9
SCHEMBL11323927 0.78 EGFR (0.54) CA12CA1CA2CA7CA9
SCHEMBL27984025 0.77 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL4320540 0.77 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL18803865 0.76 ALDH1A1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL11583108 0.75 KDM4E (0.56) CA12CA1CA2CA7CA9
SCHEMBL11315535 0.75 NR1H2 (0.71) CA12CA1CA2CA7CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4020098-A Process for the preparation of 5-substituted resorcinols and related intermediates CIBA-GEIGY CORPORATION (US) 1977-04-26 US claimed
US-4249027-A Process for the preparation of 5-substituted resorcinols and related intermediates CIBA-GEIGY CORPORATION (US) 1981-02-03 US disclosed
US-4020098-A Process for the preparation of 5-substituted resorcinols and related intermediates CIBA-GEIGY CORPORATION (US) 1977-04-26 US disclosed