SCHEMBL28095478

SCHEMBL28095478

Cc1ccc(OCC2CCCN(OC(=O)C(C)(C)C)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DPP4 P27487 1/20 0.41
PARP15 Q460N3 3/20 0.40
PARP10 Q53GL7 3/20 0.40
PARP2 Q9UGN5 1/20 0.40
CHEK2 O96017 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
CHRNA7 P36544 1/20 0.39
P2RX3 P56373 1/20 0.39

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
SCHEMBL27833492 1.00 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2DPP4PARP15
SCHEMBL28946375 0.90 HCRTR1 (0.46) KMT2AMAOAMAOBHCRTR1HCRTR2
SCHEMBL27904166 0.83 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL27796088 0.80 PARP10 (0.47) PARP15PARP10PARP2CHEK2MAOA
SCHEMBL27655729 0.80 ALDH1A1 (0.34) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL28277464 0.80 KMT2A (0.38) ALDH1A1KMT2ASMN1; SMN2PARP10CHEK2
SCHEMBL27655719 0.76 ALDH1A1 (0.34) ALDH1A1DPP4
SCHEMBL27757343 0.76 ALDH1A1 (0.34) ALDH1A1DPP4
SCHEMBL28798303 0.76 SIGMAR1 (0.46) KMT2A
SCHEMBL28760362 0.76 SSTR4 (0.45) ALDH1A1KMT2ASMN1; SMN2PARP15PARP10

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-109608449-A Compound as type III receptor tyrosine kinase inhibitors 阵列生物制药公司 2019-04-12 CN disclosed
CN-105924437-B Compound as type III receptor tyrosine kinase inhibitors 阵列生物制药公司 2018-11-30 CN disclosed
CN-105924437-A Compounds As Type III Receptor Tyrosine Kinase Inhibitors 阵列生物制药公司 2016-09-07 CN disclosed