SCHEMBL11293066

SCHEMBL11293066

Cc1cc(O)n(C(C)C)c(=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.34
ALDH1A1 P00352 3/20 0.33
HSP90AA1 P07900 1/20 0.33
CCR6 P51684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
NR1I2 O75469 1/20 0.33
KDM4B O94953 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
DOHH Q9BU89 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL11322592 0.86 MAPT (0.34) IDH1ALDH1A1HSP90AA1CCR6MEN1
SCHEMBL11318426 0.84 IDH1 (0.33) IDH1ALDH1A1HSP90AA1CCR6MEN1
SCHEMBL11317001 0.81 IDH1 (0.34) IDH1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22108536 0.78 ALDH1A1 (0.44) IDH1ALDH1A1HSP90AA1CCR6SMN1; SMN2
SCHEMBL9013810 0.76 IDH1 (0.31) IDH1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9013805 0.76 IDH1 (0.34) IDH1MEN1KMT2AMAPTKDM4E
SCHEMBL8957061 0.71 IDH1 (0.37) IDH1ALDH1A1HSP90AA1CCR6KMT2A
SCHEMBL24759505 0.71 POLB (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL28202038 0.70 IDH1 (0.44) IDH1ALDH1A1HSP90AA1CCR6SMN1; SMN2
SCHEMBL25189647 0.69 AHR (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013936-B1 REACTIVE AZO DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING MATERIALS CONTAINING HYDROXYL GROUPS AND AMIDE GROUPS BAYER AG (DE) 1982-09-22 EP disclosed
US-4299764-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-11-10 US disclosed
US-4283331-A FIBER-REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1981-08-11 US disclosed
US-4247456-A Water-insoluble monoazo pyridone dye CASSELLA AKTIENGESELLSCHAFT (DE) 1981-01-27 US disclosed
EP-0013936-A1 Reactive azo dyestuffs, their preparation and their use in dyeing materials containing hydroxyl groups and amide groups BAYER AG (DE) 1980-08-06 EP disclosed
US-4067864-A FOR CELLULOSE OR POLYAMIDES CIBA-GEIGY AG (CH) 1978-01-10 US disclosed
US-3957749-A WATER-INSOLUBLE MONOAZO PYRIDINE DYES CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed