SCHEMBL4949334

SCHEMBL4949334

COCOc1ccccc1CC=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 4/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.38
ATM Q13315 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PTPN1 P18031 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
EGFR P00533 1/20 0.35
ABCB1 P08183 1/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4015695 0.84 KDM4E (0.51) KDM4EL3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL2556550 0.81 L3MBTL1 (0.59) KDM4EL3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL249539 0.81 ALDH1A1 (0.54) KDM4EL3MBTL1ALDH1A1CHRM2CHRM1
SCHEMBL29957820 0.81 ALDH1A1 (0.54) KDM4EL3MBTL1ALDH1A1CHRM2CHRM1
SCHEMBL27655777 0.81 L3MBTL1 (0.58) KDM4EL3MBTL1MAPTNPSR1HPGD
SCHEMBL14162488 0.79 CYP19A1 (0.42) KDM4EL3MBTL1ALDH1A1PTPN1ADRB2
SCHEMBL22382257 0.79 ABCB1 (0.51) ABCB1HTR1A
SCHEMBL4010761 0.79 L3MBTL1 (0.51) KDM4EL3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL4706175 0.77 L3MBTL1 (0.50) KDM4EL3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL4012576 0.77 ADRB2 (0.46) KDM4EMAPTALDH1A1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879886-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-01-23 EP disclosed
EP-1809280-A2 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2007-07-25 EP disclosed
WO-2006119146-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-09 WO disclosed
WO-2006044825-A2 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-04-27 WO disclosed