SCHEMBL9038809

SCHEMBL9038809

C=CCC1C(c2ccccc2)Cc2c(ccc(OC)c2OC)C1C1CNC(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 5/20 0.32
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRA1A P35348 1/20 0.32
ALDH1A1 P00352 5/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HSD17B10 Q99714 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.31
KDM1A O60341 3/20 0.31
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
SYK P43405 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
SCHEMBL9038554 0.88 KDM4E (0.35) SIRT1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL10380124 0.84 L3MBTL1 (0.35) HPGDALDH1A1HSD17B10USP2PKM
SCHEMBL9039581 0.72 PARP1 (0.33) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL9039357 0.69 ACHE (0.50) SIRT1KDM4EHPGDSMN1; SMN2ADRA1A
SCHEMBL612073 0.68 PDE4A (0.41) SIRT1MAPTKDM4EALDH1A1PDE4A
SCHEMBL10380075 0.66 ADRA1A (0.41) SIRT1KDM4EHPGDSMN1; SMN2ADRA1A
SCHEMBL7304489 0.65 KDM1A (0.39) ADRA1AALDH1A1KDM1AMAOBMAOA
SCHEMBL9039255 0.65 KDM1A (0.37) ADRA1AKDM1AMAOBMAOA
SCHEMBL9040240 0.65 KDM1A (0.37) ADRA1AKDM1AMAOBMAOA
SCHEMBL9042337 0.65 KDM1A (0.35) ADRA1AKMT2AKDM1AMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO disclosed