SCHEMBL5755403

SCHEMBL5755403

CC(C)(C)OC(=O)N1CSC[C@H]1CNC(CNC(=O)c1ccccc1O)C(Cc1ccc(Oc2ccccc2)cc1)SCC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.40
HSD17B10 Q99714 1/20 0.34
ACKR3 P25106 1/20 0.33
ATM Q13315 1/20 0.33
ABCB1 P08183 1/20 0.32
PRMT5 O14744 1/20 0.31
GHSR Q92847 1/20 0.31
YAP1 P46937 3/20 0.31
METTL3 Q86U44 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
SRC P12931 2/20 0.30

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
SCHEMBL5754183 0.94 ALDH1A1 (0.35) CACNA1BHSD17B10ACKR3ATMSRC
SCHEMBL5759035 0.89 CACNA1B (0.49) CACNA1BHSD17B10ACKR3ATMGHSR
SCHEMBL5753527 0.84 NPC1 (0.39) CACNA1BKDM4E
SCHEMBL5754795 0.84 CACNA1B (0.43) CACNA1BHSD17B10ACKR3ATMGHSR
SCHEMBL5754577 0.83 REN (0.39) ATM
SCHEMBL5754912 0.83 CACNA1B (0.43) CACNA1BHSD17B10ATMYAP1SRC
SCHEMBL5758645 0.83 CACNA1B (0.43) CACNA1BHSD17B10ATMYAP1SRC
SCHEMBL5754438 0.83 CACNA1B (0.51) CACNA1BHSD17B10ATM
SCHEMBL5758199 0.82 CACNA1B (0.43) CACNA1BHSD17B10ATMGHSRYAP1
SCHEMBL5754702 0.81 CACNA1B (0.34) CACNA1B

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-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed