SCHEMBL19498643

SCHEMBL19498643

COc1ccc(C(=O)Cn2nccc2C(=O)O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA6 P23280 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ TPMT P51580 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ CYP3A4 P08684 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CBX7 O95931 3/20 0.47
▸ CDYL2 Q8N8U2 3/20 0.47
▸ CDYL Q9Y232 3/20 0.47
▸ CDY1; CDY1B Q9Y6F8 3/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ MAPT P10636 4/20 0.47
▸ TSHR P16473 3/20 0.47

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
SCHEMBL16427745 0.85 PDE4B (0.50) PDE4BCYP2C19CBX7CDYL2CDYL
SCHEMBL16437437 0.82 PDE4B (0.51) CA12CA1CA2CA4CA6
SCHEMBL28058790 0.77 PDE4B (0.48) CA12CA1CA2CA4CA6
SCHEMBL16437441 0.76 PDE4D (0.55) PDE4BCYP3A4CYP2C19CYP2C9PDE4D
SCHEMBL16427380 0.73 PDE4D (0.52) PDE4BCYP3A4CYP2C19CYP2C9PDE4D
SCHEMBL16437438 0.72 PDE4B (0.52) PDE4BCYP3A4CYP2C19CYP2C9CBX7
SCHEMBL16437443 0.72 PDE4B (0.48) PDE4BCYP3A4CYP2C19CYP2C9CBX7
SCHEMBL16427211 0.72 PDE4D (0.50) PDE4BCYP2C19PDE4DMAPTTSHR
SCHEMBL16437442 0.71 PDE4B (0.53) PDE4BCYP3A4CYP2C19CYP2C9MAPT
SCHEMBL16426583 0.71 PDE4B (0.50) PDE4BCYP2C19MAPTTSHRCTNNB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105555780-B SYK inhibitors 吉利德科学公司 2018-01-23 — — CN disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 — — EP disclosed
CN-105555780-A Syk inhibitors GILEAD SCIENCES INC 2016-05-04 — — CN disclosed
Send feedback