SCHEMBL4644829

SCHEMBL4644829

CCOC(=O)c1ccc(OC(=O)CCl)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.61
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 1/20 0.56
TUBA1A Q71U36 1/20 0.56
TUBA1C Q9BQE3 1/20 0.56
TUBB6 Q9BUF5 1/20 0.56
TUBB2B Q9BVA1 1/20 0.56
TUBB1 Q9H4B7 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 6/20 0.54

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
SCHEMBL4644009 0.89 HSD17B2 (0.58) HSD17B2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4641813 0.87 HSD17B2 (0.62) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4644367 0.87 HSD17B2 (0.56) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4643562 0.86 HSD17B2 (0.61) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4644621 0.86 HSD17B2 (0.54) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1660365 0.85 HSD17B2 (0.76) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30506315 0.85 HSD17B2 (0.76) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4647998 0.85 HSD17B2 (0.59) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4641748 0.84 HSD17B2 (0.67) HSD17B2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4647233 0.84 HSD17B2 (0.66) 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