SCHEMBL9038396

SCHEMBL9038396

CC(=O)Oc1ccc2c(c1OC(C)=O)CC(c1ccccc1)C=C2CN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.37
KDM4E B2RXH2 5/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
DRD2 P14416 2/20 0.34
DRD1 P21728 2/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 2/20 0.33
BACE1 P56817 1/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HMGB1 P09429 1/20 0.33

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
Hydrochloric Acid SCHEMBL7317155 0.99 PTPN1 (0.36) PTPN1KDM4EGAAMAPK1ADORA3
SCHEMBL9802336 0.87 KDM4E (0.43) PTPN1KDM4EGAAMAPK1ADORA3
Hydrochloric Acid SCHEMBL9802029 0.86 KDM4E (0.42) PTPN1KDM4EGAAMAPK1ADORA3
SCHEMBL7443351 0.86 ADORA3 (0.36) PTPN1KDM4EGAAMAPK1ADORA3
SCHEMBL7439893 0.86
SCHEMBL7444849 0.83 CARM1 (0.36) PTPN1KDM4EGAAMAPK1ADORA3
SCHEMBL7444847 0.83 CARM1 (0.36) PTPN1KDM4EGAAMAPK1ADORA3
SCHEMBL7446141 0.82 HCRTR1 (0.39) GAAALDH1A1HPGDTDP1ESR1
SCHEMBL7446408 0.82 DRD2 (0.35) PTPN1KDM4EGAAADORA3ADORA2A
SCHEMBL8829352 0.81 NCEH1 (0.40) KDM4EGAADRD2DRD1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP claimed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP claimed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP claimed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO claimed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP disclosed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP disclosed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO disclosed