SCHEMBL8469699

SCHEMBL8469699

CCOC(=O)Cc1c(CCc2ccc(O)cc2)oc2ccc(C#N)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 3/20 0.40
GLA P06280 2/20 0.40
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
ACP1 P24666 1/20 0.36

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
SCHEMBL8469654 0.90 MTNR1A (0.45) ALDH1A1KDM4EHPGDGLAMAPT
SCHEMBL7385370 0.85 ACP1 (0.42) MTNR1AMTNR1BACP1SLC22A12EYA3
SCHEMBL7391342 0.84 MAPT (0.54) HSD17B10ALDH1A1KDM4EGAAHPGD
SCHEMBL3600465 0.81 ALDH1A1 (0.46) HSD17B10ALDH1A1KDM4ECASP1CASP7
SCHEMBL7392060 0.78 MTNR1A (0.48) CASP1CASP7SMN1; SMN2MAPTMTNR1A
SCHEMBL11431453 0.76 USP14 (0.46) HSD17B10ALDH1A1KDM4ECASP1CASP7
SCHEMBL8469414 0.75 MAPT (0.46) ALDH1A1KDM4EHPGDGLASMN1; SMN2
SCHEMBL7384691 0.74 KDM4E (0.55) HSD17B10ALDH1A1KDM4EGAAHPGD
SCHEMBL11431456 0.70 PDCD1 (0.41) HSD17B10ALDH1A1KDM4ECASP1CASP7
SCHEMBL7392062 0.69 CYP2C9 (0.45) KDM4ECASP1CASP7SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed