SCHEMBL28072140

SCHEMBL28072140

O=COCc1cccc(C=O)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.36
KCNH2 Q12809 1/20 0.36
TERT O14746 13/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F2R P25116 1/20 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
SCHEMBL28065632 0.82 CCR1 (0.34) CCR1KCNH2TERTALDH1A1
SCHEMBL20442093 0.81 F2R (0.41) CCR1KCNH2TERTALDH1A1F2R
SCHEMBL29600898 0.81 F2R (0.41) CCR1KCNH2TERTALDH1A1F2R
SCHEMBL12664449 0.78 KCNH2 (0.45) CCR1KCNH2TERTALDH1A1
SCHEMBL27600750 0.78 BACE1 (0.39) KCNH2LMNAKDM4E
SCHEMBL27788777 0.78 KCNH2 (0.36) KCNH2ALDH1A1LMNA
SCHEMBL28119095 0.78 CYP3A4 (0.38) KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL5924102 0.78 SMN1; SMN2 (0.41) CCR1KCNH2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28659624 0.78 KCNH2 (0.40) KCNH2LMNA
SCHEMBL28298079 0.78 KCNH2 (0.40) CCR1KCNH2LMNA

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
CN-105793250-A Heteroaryl derivatives for the treatment of respiratory diseases 奇斯药制品公司 2016-07-20 CN disclosed