SCHEMBL9090253

SCHEMBL9090253

O=CNCc1ccc(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.53
ERCC1 P07992 6/20 0.50
ERCC4 Q92889 6/20 0.50
ADH1B P00325 1/20 0.50
ADH1C P00326 1/20 0.50
ADH1A P07327 1/20 0.50
ADH7 P40394 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
XDH P47989 1/20 0.47
RGS12 O14924 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 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
SCHEMBL6815570 0.81 MAPT (0.59) CA1CA2CA4CA6KDM4E
SCHEMBL31076394 0.81 MAPT (0.59) CA1CA2CA4CA6KDM4E
SCHEMBL107957 0.81 ARG1 (0.63) ARG1ERCC1ERCC4CA1CA2
SCHEMBL3307756 0.79 TRPV1 (0.57) KDM4EGAALMNATSHRNFKB1
SCHEMBL2780708 0.79 ALDH1A1 (0.55) GAALMNAHPGDTSHRNFKB1
SCHEMBL30037244 0.79 ALDH1A1 (0.55) GAALMNAHPGDTSHRNFKB1
SCHEMBL567920 0.78 ADH1B (0.41) ARG1ERCC1ERCC4ADH1BADH1C
SCHEMBL20526456 0.78 ALDH1A1 (0.54) KDM4EGAAMAPTLMNAPOLB
SCHEMBL8763196 0.78 ADH1B (0.76) ADH1BADH1CADH1AADH7LMNA
SCHEMBL5221625 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383200-A1 SUBSTANCE MIXTURES Symrise AG (DE) 2018-10-10 EP claimed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US claimed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US claimed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP claimed
WO-2023144326-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-08-03 WO disclosed
EP-3454825-A1 MENTHOL-CONTAINING AROMA PREPARATIONS Symrise AG (DE) 2019-03-20 EP disclosed
EP-3451857-A1 COOLANT MIXTURES Symrise AG (DE) 2019-03-13 EP disclosed
EP-3383200-A1 SUBSTANCE MIXTURES Symrise AG (DE) 2018-10-10 EP disclosed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US disclosed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP disclosed