SCHEMBL20855538

SCHEMBL20855538

C=Cc1cc(C(=O)OC)c(OC)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HSP90AA1 P07900 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 3/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL19278624 0.86 ALDH1A1 (0.47) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL25229358 0.81 KDM4E (0.47) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL6179210 0.81 GAA (0.39) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL30017148 0.81 GAA (0.39) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL22717432 0.81 MAPT (0.45) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL30017588 0.80 POLQ (0.47) —
SCHEMBL24770160 0.80 POLQ (0.47) —
SCHEMBL22445918 0.79 NNMT (0.41) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL9318957 0.77 KDM4E (0.47) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL31216654 0.77 KDM4E (0.56) KDM4EGAAALDH1A1HPGDMAPT

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
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 — — WO disclosed
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 — — WO disclosed
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