SCHEMBL20925906

SCHEMBL20925906

C[C@H]1Cc2cccc(-n3ccc4ccccc43)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.39
TRAP1 Q12931 2/20 0.39
HSP90AB1 P08238 1/20 0.39
HSP90B1 P14625 1/20 0.39
BIRC5 O15392 1/20 0.37
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCI P41743 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKD1 Q15139 1/20 0.36
CA12 O43570 2/20 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
SCHEMBL20925905 1.00 HSP90AA1 (0.39) HSP90AA1TRAP1HSP90AB1HSP90B1BIRC5
SCHEMBL8434095 0.75 HSP90AA1 (0.35) HSP90AA1TRAP1HSP90AB1HSP90B1BIRC5
SCHEMBL20925945 0.74 ALDH1A1 (0.39) ALDH1A1BRD4KDM4EGAACREBBP
SCHEMBL20925930 0.73 MAPK1 (0.39) ALDH1A1BRD4KDM4EGAAMAPT
SCHEMBL831356 0.71 HSP90AA1 (0.39) HSP90AA1TRAP1HSP90AB1HSP90B1BIRC5
SCHEMBL3690934 0.70 BIRC5 (0.36) HSP90AA1TRAP1HSP90AB1HSP90B1BIRC5
SCHEMBL13792038 0.69 PRKD3 (0.36) HSP90AA1BIRC5PRKD3PRKCGPRKCB
SCHEMBL29896751 0.69 BIRC5 (0.47) HSP90AA1BIRC5PRKD3PRKCGPRKCB
SCHEMBL5604900 0.69 BIRC5 (0.47) HSP90AA1BIRC5PRKD3PRKCGPRKCB
SCHEMBL2187570 0.69 BIRC5 (0.47) BIRC5PRKD3PRKCGPRKCBPRKCA

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-2240520-B1 PRODUCTION OF PROPYLENE-BASED POLYMERS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-04-24 EP disclosed