SCHEMBL8866705

SCHEMBL8866705

COCOc1ccc(CC[O])cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CALM1 P0DP23 3/20 0.49
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
POLB P06746 2/20 0.47
CYP19A1 P11511 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 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
SCHEMBL296592 0.86 ATM (0.66) ATMKDM4ECA2CA12CA1
SCHEMBL8867447 0.85 CALM1 (0.67) ATMKDM4ECALM1CA2CA12
SCHEMBL8866713 0.83 ATM (0.50) ATMKDM4ECALM1CA2POLB
SCHEMBL9178046 0.81 FFAR4 (0.55) POLBSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL5978889 0.80 ALDH1A1 (0.53) KDM4ECA2POLBCYP3A4SMN1; SMN2
SCHEMBL1734396 0.79 KDM4E (0.53) ATMKDM4ECALM1CA2POLB
SCHEMBL6301878 0.79 POLB (0.56) ATMKDM4ECALM1CA2CA12
SCHEMBL9175204 0.78 PPARA (0.58) POLBSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL14586637 0.78 ATM (0.51) ATMKDM4ECALM1CA2POLB
SCHEMBL6566769 0.78 CA5A (0.62) KDM4ECA5ACYP1A2CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed