SCHEMBL8104625

SCHEMBL8104625

CC(Oc1ccc(C=O)cc1)C1CO1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.58
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
DRD1 P21728 2/20 0.45
CYP2A6 P11509 2/20 0.44
TYR P14679 1/20 0.40
STS P08842 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PARP10 Q53GL7 1/20 0.33
PARP3 Q9Y6F1 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
SCHEMBL2831238 0.80 CYP1A2 (0.38) DRD1MAPT
SCHEMBL7324971 0.80 ALDH1A3 (0.46) ALDH1A3ALDH1A1KDM4EDRD1CYP2A6
SCHEMBL4243856 0.77 CHRNB4 (0.49) KDM4E
SCHEMBL1299966 0.77 ALDH1A3 (0.62) ALDH1A3ALDH1A1KDM4EDRD1CYP2A6
SCHEMBL11967027 0.75 SMN1; SMN2 (0.51) ALDH1A1STSLMNASMN1; SMN2MAPT
SCHEMBL18920665 0.75 CHRNB4 (0.44) ALDH1A1LMNAHPGD
SCHEMBL14016002 0.74 ALDH1A3 (0.76) ALDH1A3ALDH1A1KDM4EDRD1CYP2A6
SCHEMBL384361 0.74 ALDH1A3 (1.00) ALDH1A3ALDH1A1KDM4EDRD1CYP2A6
SCHEMBL18920686 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL6624087 0.73 HRH3 (0.43) ALDH1A1CYP2A6SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605729-B1 OXAZOLIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2000-07-26 EP disclosed
US-5480899-A ANTILIPEMIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
EP-0605729-A1 OXAZOLIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1994-07-13 EP disclosed