SCHEMBL18901586

SCHEMBL18901586

CC1CCC(C(=O)OCC(=O)c2ccc(Br)cc2F)N1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.50
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ P2RX7 Q99572 1/20 0.34
▸ GPR119 Q8TDV5 5/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ AAK1 Q2M2I8 3/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33

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
SCHEMBL12686982 1.00 USP30 (0.50) USP30NPC1RAB9ACASP3SENP8
SCHEMBL883168 0.84 KMT2A (0.41) NPC1RAB9AALDH1A1
SCHEMBL18901982 0.84 KMT2A (0.41) NPC1RAB9AALDH1A1
SCHEMBL10182560 0.84 USP30 (0.47) USP30NPC1RAB9ACASP3SENP8
SCHEMBL10183425 0.83 USP30 (0.48) USP30NPC1RAB9ACASP3SENP8
SCHEMBL1293820 0.83 ALDH1A1 (0.36) USP30NPC1RAB9AALDH1A1
SCHEMBL13258502 0.82 USP30 (0.46) USP30NPC1RAB9ACASP3SENP8
SCHEMBL12333081 0.81 KMT2A (0.40) NPC1RAB9AGPR119
SCHEMBL18467520 0.78 NPC1 (0.36) USP30NPC1RAB9AALDH1A1GPR119
SCHEMBL13827079 0.78 NPC1 (0.36) USP30NPC1RAB9AALDH1A1GPR119

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-2912031-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 — — EP disclosed
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