SCHEMBL3815618

SCHEMBL3815618

COc1cc(C)ccc1C(=O)N(C)c1cc(-c2ccccc2)sc1OC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 7/20 0.47
▸ HSD17B2 P37059 7/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PLAU P00749 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 1/20 0.38
▸ TUBA1A Q71U36 1/20 0.38
▸ TUBA1C Q9BQE3 1/20 0.38
▸ TUBB6 Q9BUF5 1/20 0.38

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
SCHEMBL3807569 0.88 HSD17B1 (0.45) HSD17B1HSD17B2
SCHEMBL2157987 0.86 HSD17B1 (0.53) HSD17B1HSD17B2NPC1RAB9AL3MBTL1
SCHEMBL3816560 0.82 HSD17B1 (0.44) HSD17B1HSD17B2NPC1RAB9ALMNA
SCHEMBL3817235 0.82 HSD17B1 (0.45) HSD17B1HSD17B2NPC1RAB9AL3MBTL1
SCHEMBL3811638 0.81 MAPT (0.45) HSD17B1HSD17B2L3MBTL1ALDH1A1TUBB4A
SCHEMBL3808987 0.80 HSD17B1 (0.39) HSD17B1HSD17B2NPC1RAB9AALDH1A1
SCHEMBL3809473 0.79 HSD17B1 (0.49) HSD17B1HSD17B2
SCHEMBL3812250 0.79 HPGD (0.41) HSD17B1HSD17B2NPC1RAB9AL3MBTL1
SCHEMBL3809712 0.79 POLB (0.50) HSD17B1HSD17B2NPC1RAB9AL3MBTL1
SCHEMBL3816512 0.78 IKBKB (0.39) HSD17B1HSD17B2RAB9AL3MBTL1LMNA

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-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP claimed
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