SCHEMBL21753835

SCHEMBL21753835

CC(C)(C(=O)c1ccc(SCCC(=O)O)cc1)N1CCOCC1.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPK1 P28482 2/20 0.64
TSHR P16473 1/20 0.64
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
USP2 O75604 1/20 0.48
HRH3 Q9Y5N1 1/20 0.45
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
FKBP1A P62942 3/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL10891130 0.99 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1MAPK1TSHRRAB9A
SCHEMBL10883782 0.90 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1MAPK1TSHRRAB9A
SCHEMBL10890159 0.89 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1MAPK1TSHRRAB9A
SCHEMBL278825 0.87 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1MAPK1TSHRRAB9A
SCHEMBL10890989 0.87 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MAPK1TSHRRAB9A
SCHEMBL10887683 0.86 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPK1TSHRRAB9A
SCHEMBL727028 0.86 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPK1TSHRRAB9A
SCHEMBL17324198 0.86 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPK1TSHRRAB9A
SCHEMBL725765 0.86 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPK1TSHRRAB9A
SCHEMBL6436860 0.86 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1MAPK1TSHRRAB9A

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
WO-2020040094-A1 POLYMER, COMPOSITION CONTAINING SAME, CURING METHOD THEREFOR, CURED PRODUCT THEREOF, AND POLYMER MANUFACTURING METHOD 株式会社ADEKA 2020-02-27 WO disclosed