SCHEMBL9634006

SCHEMBL9634006

O=C(O)CCc1ccc(O)c(-c2cc(CCC(=O)O)ccc2O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
FFAR1 O14842 5/20 0.53
KEAP1 Q14145 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
RXRA P19793 1/20 0.50
IAPP P10997 2/20 0.49
BACE1 P56817 1/20 0.47
KDM4E B2RXH2 1/20 0.47
RGS12 O14924 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
THPO P40225 1/20 0.47

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
SCHEMBL9679818 0.86 GABRA1 (0.57) FFAR1RXRAGAATSHRNFKB1
Dihydrocaffeic Acid SCHEMBL7058919 0.86 IAPP (0.65) FFAR1KEAP1IAPPBACE1KDM4E
Dihydrocaffeic Acid SCHEMBL245530 0.86 IAPP (0.65) FFAR1KEAP1IAPPBACE1KDM4E
Dihydrocaffeic Acid SCHEMBL29351390 0.86 IAPP (0.65) FFAR1KEAP1IAPPBACE1KDM4E
SCHEMBL9679804 0.83 RXRA (0.59) FFAR1RXRATSHRFFAR4
SCHEMBL24854636 0.82 CNR1 (0.55) CNR1CNR2IAPPBACE1KDM4E
SCHEMBL9618319 0.81 FFAR4 (0.66) FFAR1RXRAFFAR4
SCHEMBL9679355 0.81 RXRA (0.63) CNR1CNR2FFAR1RXRAIAPP
SCHEMBL3689346 0.81 CA1 (0.51) FFAR1KEAP1CA1CA2IAPP
SCHEMBL3336314 0.81 CA2 (0.68) FFAR1KEAP1CA1CA2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185547-B1 POLYNUCLEOTIDE HYBRIDIZATION ASSAYS EMPLOYING CATALYZED LUMINESCENCE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-03 EP disclosed
US-4983511-A Method and kit for detecting live microorganisms in chlorine- or bromine-treated water OLIN CORPORATION (US) 1991-01-08 US disclosed
US-4670379-A Polynucleotide hydridization assays employing catalyzed luminescence E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-06-02 US disclosed
EP-0185547-A2 Polynucleotide hybridization assays employing catalyzed luminescence E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-06-25 EP disclosed