SCHEMBL8469650

SCHEMBL8469650

CCCC(=O)Oc1c(CCc2ccc(OC)cc2)oc2cc(C#N)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
MAOB P27338 1/20 0.38
PDE5A O76074 1/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
TP53 P04637 2/20 0.37
ALPL P05186 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
SCHEMBL8469647 0.92 MTNR1A (0.41) MAPTCNR1CNR2CYP3A4ALOX15
SCHEMBL8469412 0.85 KDM4E (0.42) MAPTGAAKDM4EALDH1A1GLA
SCHEMBL8469409 0.79 MAPT (0.42) MAPTSMN1; SMN2KDM4EMTNR1AMTNR1B
SCHEMBL7392062 0.79 CYP2C9 (0.45) MAPTCNR1CNR2CYP3A4ALOX15
SCHEMBL7392563 0.74 MTNR1A (0.47) MAPTCNR1CNR2CYP3A4ALOX15
SCHEMBL7388946 0.74 ANO1 (0.45) MAPTCNR1CNR2CYP3A4ALOX15
SCHEMBL8469654 0.74 MTNR1A (0.45) MAPTKDM4EALDH1A1GLAKMT2A
SCHEMBL7384691 0.73 KDM4E (0.55) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL27332044 0.73 MAPT (0.41) MAPTSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL7392060 0.73 MTNR1A (0.48) MAPTCNR1CNR2CYP3A4ALOX15

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