SCHEMBL13089017

SCHEMBL13089017

COCCCCN1C(=O)COc2ccc(C(=O)OC)cc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
KDM4E B2RXH2 1/20 0.51
KCNH2 Q12809 1/20 0.49
REN P00797 1/20 0.49
POLB P06746 5/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.47
THRB P10828 2/20 0.47
KMO O15229 1/20 0.46
HSD17B10 Q99714 1/20 0.45
PLK1 P53350 1/20 0.45

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
SCHEMBL3352037 0.89 KCNH2 (0.51) TSHRKDM4EKCNH2POLBTP53
SCHEMBL89003 0.82 TSHR (0.70) TSHRRENPOLBTP53MAPT
SCHEMBL18581311 0.82 TSHR (0.55) TSHRKDM4EPOLBTP53MAPT
SCHEMBL8264865 0.81 REN (0.57) TSHRKDM4ERENPOLBTP53
SCHEMBL18581126 0.81 L3MBTL1 (0.51) TSHRKDM4EKCNH2MAPTTHRB
SCHEMBL3213901 0.80 SMN1; SMN2 (0.56) TSHRKDM4EKCNH2POLBHSD17B10
SCHEMBL2240091 0.79 REN (0.50) TSHRRENTHRB
SCHEMBL2243808 0.79 ALDH1A1 (0.53) RENPOLBMAPT
SCHEMBL1047741 0.79 REN (0.57) TSHRKDM4ERENPOLBTP53
SCHEMBL89401 0.79 TSHR (0.71) TSHRRENPOLBTP53MAPT

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
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed