SCHEMBL17867141

SCHEMBL17867141

O=[N+]([O-])c1cc(CCO)cc([N+](=O)[O-])c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.53
TSHR P16473 1/20 0.50
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TTR P02766 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL9812448 0.83 GPR35 (0.57) GPR35CRHBPCRHR2CA12CA1
SCHEMBL17867064 0.82 GPR35 (0.52) GPR35CRHBPCRHR2CA12CA1
SCHEMBL5078798 0.82 GPR35 (0.57) GPR35CRHBPCRHR2CA12CA1
SCHEMBL17866707 0.82 GPR35 (0.52) GPR35CRHBPCRHR2CA12CA1
SCHEMBL10881818 0.81 GPR35 (0.59) GPR35CRHBPCRHR2CA12CA1
SCHEMBL7820506 0.79 GPR35 (0.48) GPR35CRHBPCRHR2CA12CA1
SCHEMBL8736399 0.79 GPR35 (0.53) GPR35CRHBPCRHR2CA12CA1
SCHEMBL6812707 0.79 POLB (0.63) GPR35TSHRCA12CA1CA2
SCHEMBL29987829 0.79 POLB (0.63) GPR35TSHRCA12CA1CA2
SCHEMBL10608137 0.78 TSHR (0.58) GPR35TSHRCA12CA1CA2

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