SCHEMBL19608947

SCHEMBL19608947

NCC(CO)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX1 P07099 3/20 0.48
SHBG P04278 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL5767343 0.98 ALDH1A1 (0.59) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL5990357 0.90
SCHEMBL29821663 0.90
SCHEMBL1849074 0.84 ALDH1A1 (0.41) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL4379254 0.81 EPHX1 (0.62) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL5313949 0.81 ALDH1A1 (0.45) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL1129491 0.81 ALDH1A1 (0.45) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL13857000 0.79 ALDH1A1 (0.37) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL6984487 0.79 ALDH1A1 (0.37) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL14521309 0.79 ALDH1A1 (0.50) ALDH1A1TP53KDM4EGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11359054-B2 Uniform sequence-defined polyurethanes and uses thereof as molecular labels CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-06-14 US disclosed
EP-3455279-B1 UNIFORM SEQUENCE-DEFINED POLYURETHANES AND USES THEREOF AS MOLECULAR LABELS CENTRE NAT RECH SCIENT (FR) 2022-04-13 EP disclosed
US-20200407503-A1 UNIFORM SEQUENCE-DEFINED POLYURETHANES AND USES THEREOF AS MOLECULAR LABELS UNIVERSITÉ D'AIX-MARSEILLE (FR) 2020-12-31 US disclosed
WO-2017194694-A1 UNIFORM SEQUENCE-DEFINED POLYURETHANES AND USES THEREOF AS MOLECULAR LABELS CENTRE NATIONAL DE LA RECHERCHE (FR) 2017-11-16 WO disclosed