SCHEMBL8876358

SCHEMBL8876358

C=C(Cl)COc1ccc2c(C)cc(=O)oc2c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.58
ALDH1A1 P00352 8/20 0.58
MAOA P21397 5/20 0.57
HSD17B10 Q99714 6/20 0.57
HPGD P15428 5/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 2/20 0.57
TP53 P04637 1/20 0.57
LMNA P02545 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MCL1 Q07820 1/20 0.54
TSHR P16473 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FHIT P49789 1/20 0.52
ALPL P05186 3/20 0.49
ALPI P09923 1/20 0.49
CYP1A2 P05177 1/20 0.48
MAOB P27338 3/20 0.47
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL11193363 0.86 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL8877576 0.85 MCL1 (0.64) KDM4EALDH1A1MAOAHSD17B10HPGD
SCHEMBL8876001 0.83 KDM4E (0.76) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL4772250 0.80 KDM4E (0.74) KDM4EALDH1A1MAOAHSD17B10HPGD
SCHEMBL11435073 0.74 KDM4E (0.68) KDM4EALDH1A1MAOAHSD17B10HPGD
SCHEMBL11432556 0.74 MAOA (1.00) KDM4EALDH1A1MAOAHSD17B10HPGD
SCHEMBL6806005 0.73 ALDH1A1 (1.00) KDM4EALDH1A1MAOAHSD17B10HPGD
SCHEMBL8876755 0.72 MAOA (0.52) KDM4EALDH1A1MAOAHSD17B10HPGD
SCHEMBL6799413 0.71 KDM4E (0.64) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL6109279 0.71 KDM4E (0.77) KDM4EALDH1A1HSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665762-A Decontaminating clinical samples CARUS CORPORATION (US) 1997-09-09 US disclosed
US-5659050-A FOR INACTIVATING CONTAMINANTS IN MATERIAL INTENDED FOR IN VITRO CLINICAL TESTING CERUS CORPORATION (US) 1997-08-19 US disclosed
US-5582994-A CONTACTING SAMPLES PRIOR TO TESTING TO INACTIVATE PATHOGENS STERITECH, INC. (US) 1996-12-10 US disclosed
US-5556958-A AMINOPSORALENS STERITECH, INC. (US) 1996-09-17 US disclosed
WO-1994020090-A1 DECONTAMINATING CLINICAL SAMPLES STERITECH, INC. (US) 1994-09-15 WO disclosed