SCHEMBL4643560

SCHEMBL4643560

C[CH]C(=O)Oc1ccc(C(=O)OCC)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.61
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 7/20 0.54
TSHR P16473 2/20 0.54
KDM4E B2RXH2 3/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 2/20 0.50
POLB P06746 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 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
SCHEMBL4642446 0.88 HSD17B2 (0.59) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4642264 0.85 HSD17B2 (0.57) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30506315 0.85 HSD17B2 (0.76) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1660365 0.85 HSD17B2 (0.76) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4643390 0.84 HSD17B2 (0.67) HSD17B2KDM4ELMNAGAAALDH1A1
SCHEMBL4647233 0.84 HSD17B2 (0.66) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4647227 0.83 HSD17B2 (0.64) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL431676 0.83 HSD17B2 (0.64) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4641813 0.82 HSD17B2 (0.62) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL310621 0.81 TSHR (0.71) HSD17B2NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed