SCHEMBL9845116

SCHEMBL9845116

CC(O)Oc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ACE2 Q9BYF1 2/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MYC P01106 1/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL27747073 0.88 ALDH1A1 (0.56) CA12CA1CA2CA4CA6
SCHEMBL25406539 0.87 CA12 (0.46) CA12CA1CA2CA4CA6
SCHEMBL6933447 0.83 ESR1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL1554712 0.81 CA12 (0.71) CA12CA1CA2CA4CA6
SCHEMBL966378 0.78 CA12 (0.71) CA12CA1CA2CA4CA6
SCHEMBL1538088 0.78 CA12 (0.43) CA12CA1CA2CA4CA6
SCHEMBL10337047 0.77 KDM4E (0.58) ALDH1A1TSHRKDM4EHTTKMT2A
SCHEMBL1134227 0.77 KDM4E (0.58) ALDH1A1TSHRKDM4EHTTKMT2A
Hydrochloric Acid SCHEMBL17667160 0.77 CA12 (0.69) CA12CA1CA2CA4CA6
SCHEMBL10453887 0.76 KMT2A (0.63) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59018727-A None JP disclosed
EP-0416288-A2 Reduction of acidity of polyesters by melt reaction endcapping BRIDGESTONE/FIRESTONE, INC. (US) 1991-03-13 EP disclosed
EP-0414009-A2 Reduction of acidity of polyesters by melt reaction endcapping with dialkyloxalate BRIDGESTONE/FIRESTONE, INC. (US) 1991-02-27 EP disclosed
EP-0414008-A2 Reduction of acidity of polyesters by melt reaction endcapping with enamines or schiff bases BRIDGESTONE/FIRESTONE, INC. (US) 1991-02-27 EP disclosed
JP-S5918727-A METHOD FOR DISPERSING SYNTHETIC PARTICLE FOR POLYESTER TORAY IND INC 1984-01-31 JP disclosed