SCHEMBL11234283

SCHEMBL11234283

CCCc1c(C(=O)Oc2cc(C(=O)O)cc(O)c2O)cc(O)c(O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
POLA1 P09884 1/20 0.56
ANTXR2 P58335 1/20 0.56
PTGS2 P35354 1/20 0.48
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL2035001 0.90 POLB (0.51) POLBPOLA1ANTXR2PTGS2ESR1
SCHEMBL2034409 0.90 POLB (0.51) POLBPOLA1ANTXR2PTGS2ESR1
SCHEMBL2552137 0.86 SERPINE1 (0.50) POLBPOLA1ANTXR2KDM4EESR1
Gallic Acid SCHEMBL11234286 0.83 KDM4E (0.53) POLBPOLA1ANTXR2PTGS2CA12
SCHEMBL39173 0.80 LDHA (0.39) LDHALDHB
SCHEMBL2555282 0.79 ESR1 (0.61) ESR1SERPINE1
SCHEMBL27639352 0.78 LDHA (0.49) SELLSELPLDHALDHB
SCHEMBL22629 0.78 LDHA (0.49) SELLSELPLDHALDHB
SCHEMBL2292179 0.77 ESR1 (0.63) ESR1
SCHEMBL27803040 0.77 LDHA (0.47) LDHALDHB

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
JP-57019062-A None JP disclosed
JP-S5719062-A PREVENTION OF STRESS CORROSION CRACKING IN STEEL PRODUCT NIPPON KOKAN KK <NKK> 1982-02-01 JP disclosed