SCHEMBL19188366

SCHEMBL19188366

COC(=O)CCCC1(NC(=O)OC(C)(C)C)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 6/20 0.34
PPIA P62937 1/20 0.33
EPHX1 P07099 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL9744392 0.87 P2RX7 (0.40) P2RX7TSHRKMT2APPIAEPHX1
SCHEMBL28083977 0.84 P2RX7 (0.41) P2RX7CA12CA14KMT2AEPHX1
SCHEMBL28275818 0.83 P2RX7 (0.39) P2RX7CA12CA2CA14KMT2A
SCHEMBL8282998 0.82 CA12 (0.42) P2RX7CA12CA2CA14KMT2A
SCHEMBL28220352 0.82 P2RX7 (0.40) P2RX7EPHX1
SCHEMBL7272144 0.81 P2RX7 (0.41) P2RX7CA12CA2CA14KMT2A
SCHEMBL9742297 0.81 P2RX7 (0.41) P2RX7CA12CA2CA14KMT2A
SCHEMBL28210022 0.81 P2RX7 (0.38) P2RX7KMT2AEPHX2PPIAEPHX1
SCHEMBL7639921 0.81 P2RX7 (0.42) P2RX7CA12CA2CA14KMT2A
SCHEMBL28816491 0.81 P2RX7 (0.39) P2RX7CA12CA2CA14KMT2A

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-3199530-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR Changzhou Yinsheng Pharmaceutical Co., Ltd. (CN) 2017-08-02 EP disclosed