SCHEMBL9802265

SCHEMBL9802265

COc1ccc(C)c2c1C[C@@H](CO)O[C@H]2CBr

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ADRA1A P35348 4/20 0.35
POLL Q9UGP5 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
DRD1 P21728 3/20 0.32
CYP1A2 P05177 1/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL9802498 0.87 DRD1 (0.41) KDM4EALDH1A1HPGDADRA1ADRD1
SCHEMBL9802346 0.80 DRD1 (0.47) DRD1
SCHEMBL9802087 0.78 ADRA2A (0.49) ADRA1ADRD1
SCHEMBL9802362 0.77 SLC6A2 (0.42) ADRA1ADRD1
Hydrochloric Acid SCHEMBL9802657 0.69 DRD1 (0.35) ALDH1A1ADRA1ADRD1
SCHEMBL9802523 0.68 DRD1 (0.49) KDM4EALDH1A1HPGDDRD1
SCHEMBL8528876 0.68 ADRA1A (0.46) KDM4EALDH1A1HPGDADRA1APOLL
Bromide SCHEMBL9802543 0.68 DRD1 (0.51) KDM4EADRA1ADRD1CYP1A2
Bromide SCHEMBL9802688 0.68 DRD1 (0.51) KDM4EADRA1ADRD1CYP1A2
Hydrochloric Acid SCHEMBL9802653 0.66 DRD1 (0.38) ADRA1ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994486-A Neurological disorders ABBOTT LABORATORIES (US) 1991-02-19 US disclosed