SCHEMBL4642264

SCHEMBL4642264

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.57
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 7/20 0.50
KDM4E B2RXH2 3/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.49
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.47
MGLL Q99685 1/20 0.46
HPGD P15428 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44

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 0.90 HSD17B2 (0.59) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4644415 0.86 HSD17B2 (0.62) HSD17B2KDM4ELMNAALDH1A1GAA
SCHEMBL4643560 0.85 HSD17B2 (0.61) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30506315 0.82 HSD17B2 (0.76) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1660365 0.82 HSD17B2 (0.76) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4647233 0.81 HSD17B2 (0.66) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4647227 0.80 HSD17B2 (0.64) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4641754 0.80 CA12 (0.49) SMN1; SMN2MAPTLMNAKMT2AALDH1A1
SCHEMBL431676 0.80 HSD17B2 (0.64) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4641813 0.79 HSD17B2 (0.62) 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 1 patent. 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