SCHEMBL8098396

SCHEMBL8098396

CCOC(=O)C(C)c1cccc2c1CC(Br)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 5/20 0.35
GAA P10253 3/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 4/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
NLRP3 Q96P20 2/20 0.34
SLC25A5 P05141 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPN1 P18031 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 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
SCHEMBL7845176 0.83 PTGS2 (0.38) ACHEGAALMNASMN1; SMN2MAPT
SCHEMBL8104228 0.76 ALDH1A1 (0.55) TSHRALDH1A1GAALMNASMN1; SMN2
SCHEMBL8460607 0.75 PTPN1 (0.49) ALDH1A1GAALMNASMN1; SMN2MAPT
SCHEMBL27393368 0.74 MAPT (0.38) TSHRALDH1A1GAALMNASMN1; SMN2
SCHEMBL7522357 0.73 ALDH1A1 (0.44) ACHETSHRALDH1A1GAALMNA
SCHEMBL8098246 0.73 GAA (0.38) ALDH1A1GAAMAPTHPGDKDM4E
SCHEMBL8560121 0.73 ACHE (0.66) ACHEALDH1A1KMT2AMEN1
SCHEMBL7976476 0.70 PPARA (0.42) ACHETSHRLMNASMN1; SMN2MAPT
SCHEMBL8099246 0.69 ACHE (0.45) ACHETSHRALDH1A1GAALMNA
SCHEMBL363983 0.68 TSHR (0.48) TSHRALDH1A1GAALMNASMN1; SMN2

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
US-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5902803-A 5H,10H-imidazo 1,2-a!indeno 1,2-e!pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE-POULENC RORER S.A. (FR) 1999-05-11 US disclosed