SCHEMBL7580787

SCHEMBL7580787

COC(=O)[C@@H]1C[C@@H](Oc2ccc(C(C)C)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.53
MCL1 Q07820 17/20 0.46
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6846804 0.90 P2RX3 (0.53) P2RX3MCL1
SCHEMBL6846802 0.90 P2RX3 (0.53) P2RX3MCL1
SCHEMBL3263994 0.89 P2RX3 (0.63) P2RX3MCL1
SCHEMBL25365111 0.88 P2RX3 (0.53) P2RX3MCL1
SCHEMBL12442648 0.87 P2RX3 (0.52) P2RX3MCL1
SCHEMBL18754654 0.87 P2RX3 (0.52) P2RX3MCL1
SCHEMBL6770355 0.87 MCL1 (0.52) P2RX3MCL1
SCHEMBL29523156 0.87 P2RX3 (0.52) P2RX3MCL1
SCHEMBL18617461 0.87 P2RX3 (0.52) P2RX3MCL1
SCHEMBL6770357 0.87 MCL1 (0.52) P2RX3MCL1

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
WO-2002072087-A1 PCRA HELICASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-09-19 WO disclosed