SCHEMBL29035397

SCHEMBL29035397

NCC(=O)OC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
PARP10 Q53GL7 3/20 0.56
SRD5A2 P31213 5/20 0.50
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MMP1 P03956 2/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP16 Q8N5Y8 1/20 0.44
PARP11 Q9NR21 1/20 0.44
PARP4 Q9UKK3 1/20 0.44
HPGD P15428 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL9187797 0.86 AKR1C3 (0.58) SMN1; SMN2PARP10ERCC5FEN1ALDH1A1
SCHEMBL186246 0.86 LMNA (0.52) SMN1; SMN2PARP10ALDH1A1MAPTRAB9A
SCHEMBL26119241 0.85 MMP13 (0.50) SMN1; SMN2PARP10ALDH1A1MAPTRAB9A
SCHEMBL16174814 0.85 SMN1; SMN2 (0.55) SMN1; SMN2PARP10SRD5A2ERCC5FEN1
SCHEMBL2762264 0.84 LMNA (0.50) SMN1; SMN2PARP10ALDH1A1MAPTRAB9A
SCHEMBL2762547 0.84 LMNA (0.50) SMN1; SMN2PARP10ALDH1A1MAPTRAB9A
SCHEMBL6892695 0.84 PARP10 (0.64) SMN1; SMN2PARP10SRD5A2ERCC5FEN1
SCHEMBL29382078 0.84 LOXL2 (0.45) SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL29035467 0.83 ELANE (0.51) PARP10SRD5A2ALDH1A1MAPTRAB9A
SCHEMBL28620841 0.82 PARP10 (0.62) SMN1; SMN2PARP10SRD5A2ERCC5FEN1

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-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 CN disclosed