SCHEMBL29956530

SCHEMBL29956530

COc1ccc2c(C=O)c(C(=O)O)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.59
KDM4E B2RXH2 9/20 0.53
GAA P10253 6/20 0.53
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 4/20 0.53
HPGD P15428 3/20 0.53
MAPT P10636 3/20 0.53
ALOX15 P16050 3/20 0.53
USP2 O75604 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
GFER P55789 1/20 0.49
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48

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
SCHEMBL1429238 0.89 KDM4E (0.59) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL29956404 0.89 KDM4E (0.59) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL4877545 0.87 KDM4E (0.67) GPR17KDM4EGAAALDH1A1HSD17B10
SCHEMBL9253578 0.83 ALOX15 (0.72) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL1144751 0.82 GPR17 (0.64) GPR17KDM4EGAAALDH1A1HSD17B10
SCHEMBL30779683 0.81 GPR17 (0.63) GPR17KDM4EGAAALDH1A1HSD17B10
SCHEMBL14154118 0.80 KDM4E (0.57) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL29954171 0.79 MEN1 (0.50) GPR17KDM4EGAAALDH1A1HSD17B10
SCHEMBL28873648 0.79 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL4877546 0.78 GPR17 (0.60) GPR17KDM4EGAAALDH1A1HSD17B10

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed