SCHEMBL17866971

SCHEMBL17866971

Cc1cc(O)c(O)c2oc(=O)cc(O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 4/20 0.53
MCL1 Q07820 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.53
ALOX15 P16050 2/20 0.53
MAPK1 P28482 2/20 0.53
MGAM O43451 2/20 0.53
SI P14410 2/20 0.53
MGAM2 Q2M2H8 2/20 0.53
HSD17B10 Q99714 4/20 0.50
HPGD P15428 4/20 0.50
CA9 Q16790 2/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
MET P08581 2/20 0.49

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
SCHEMBL5341491 0.79 CYP3A4 (0.50) CYP3A4ALDH1A1GAAMCL1KDM4E
SCHEMBL30616018 0.76 CYP3A4 (0.57) CYP3A4ALDH1A1GAAMCL1KDM4E
SCHEMBL5336436 0.74 CYP3A4 (0.45) CYP3A4ALDH1A1GAAMCL1KDM4E
SCHEMBL28899964 0.74 CLK2 (0.64) CYP3A4ALDH1A1GAAKDM4EMAPT
SCHEMBL29459740 0.71 ALDH1A1 (0.51) CYP3A4ALDH1A1GAAMCL1KDM4E
SCHEMBL5341413 0.71 CYP3A4 (0.46) CYP3A4ALDH1A1GAAMCL1KDM4E
SCHEMBL27426246 0.71 MAOA (0.67) CYP3A4ALDH1A1GAAKDM4EMAPT
SCHEMBL5118377 0.70 ALDH1A1 (0.86) CYP3A4ALDH1A1GAAMCL1KDM4E
SCHEMBL5337247 0.70 ALDH1A1 (0.69) CYP3A4ALDH1A1GAAMCL1KDM4E
SCHEMBL31465207 0.70 MAOA (0.66) GAAKDM4EMAPTLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 US disclosed
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 US disclosed
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 US disclosed
US-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 US disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 US disclosed