SCHEMBL17866868

SCHEMBL17866868

CC(C)=CCCC(C)=CCc1cc(=O)c2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 1/20 0.48
▸ CTSV O60911 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ PGR P06401 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ SNCA P37840 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ CYP1A2 P05177 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43

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
SCHEMBL14519808 1.00 VKORC1 (0.48) VKORC1CTSVCTSLALOX15MAPK1
SCHEMBL17866835 0.81 MTNR1A (0.46) VKORC1MAPK1PTGS1PGRHTR1A
SCHEMBL17866833 0.81 MTNR1A (0.46) VKORC1MAPK1PTGS1PGRHTR1A
SCHEMBL16431075 0.77 CYP2D6 (0.53) VKORC1ALOX15MAPK1PTGS1PGR
SCHEMBL14519803 0.77 CYP2D6 (0.53) VKORC1ALOX15MAPK1PTGS1PGR
Aurachin D SCHEMBL29456185 0.76 SLC2A1 (0.64) VKORC1ALOX15MAPK1PTGS1PGR
Aurachin D SCHEMBL15094902 0.76 SLC2A1 (0.64) VKORC1ALOX15MAPK1PTGS1PGR
Aurachin D SCHEMBL16552860 0.76 SLC2A1 (0.64) VKORC1ALOX15MAPK1PTGS1PGR
SCHEMBL9597639 0.75 VKORC1 (0.51) VKORC1ALOX15MAPK1PTGS1PGR
SCHEMBL472872 0.72 CTSV (0.54) CTSVCTSLMAPK1MAPTCYP1A2

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
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