SCHEMBL8200161

SCHEMBL8200161

COC(=O)c1ccc(-c2ccc(C(=O)OC)c(O)c2)cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.71
CA1 P00915 4/20 0.71
CA2 P00918 4/20 0.71
CA7 P43166 4/20 0.71
CA9 Q16790 4/20 0.71
CA14 Q9ULX7 4/20 0.71
PDK2 Q15119 1/20 0.71
PDK4 Q16654 1/20 0.71
GAA P10253 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
MYC P01106 1/20 0.57
EGFR P00533 2/20 0.51
HNF4A P41235 1/20 0.50
ACMSD Q8TDX5 1/20 0.50
ERN1 O75460 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 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
SCHEMBL18821988 0.91 EGFR (0.65) CA12CA1CA2CA7CA9
SCHEMBL21681991 0.91 ACMSD (0.66) CA12CA1CA2CA7CA9
SCHEMBL11690819 0.89 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL18719603 0.87 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL23226553 0.85 CFTR (0.57) CA12CA1CA2CA7CA9
SCHEMBL12432411 0.84 CA12 (0.53) CA12CA1CA2CA7CA9
Methyl 2,4-Dihydroxybenzoate SCHEMBL382883 0.83 CA12 (1.00) CA12CA1CA2CA7CA9
Methyl 2,4-Dihydroxybenzoate SCHEMBL30917273 0.83 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL31710441 0.83 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL6466451 0.83 CA12 (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103912-A OPTICAL INFRARED FILTERS COMPRISING PH SENSITIVE DYES POLAROID CORPORATION (US) 2000-08-15 US disclosed
EP-0553346-B1 PHOTOGRAPHIC PRODUCTS AND PROCESSES POLAROID CORP (US) 1998-01-28 EP disclosed
US-5244771-A Bridged indicator dyes used as light-absorbing, pH-sensitive optical filter agents in diffusion transfer POLAROID CORPORATION (US) 1993-09-14 US disclosed
EP-0553346-A1 PHOTOGRAPHIC PRODUCTS AND PROCESSES POLAROID CORPORATION (US) 1993-08-04 EP disclosed
WO-1993004403-A1 PHOTOGRAPHIC PRODUCTS AND PROCESSES POLAROID CORPORATION (US) 1993-03-04 WO disclosed