SCHEMBL30049119

SCHEMBL30049119

CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCOCCOCCC(=O)OC(C)(C)C)c(=O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ KDM4E B2RXH2 6/20 0.53
▸ MAPT P10636 5/20 0.53
▸ HSD17B10 Q99714 5/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ MAOB P27338 3/20 0.53
▸ ATM Q13315 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ SLC16A3 O15427 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ SLC16A1 P53985 1/20 0.53
▸ GBA1 P04062 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ STAT3 P40763 1/20 0.50
▸ STAT1 P42224 1/20 0.50

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
SCHEMBL13248272 0.87 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL15298984 0.87 MAOB (0.63) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL17612195 0.86 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL13524273 0.86 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL14948237 0.85 KMT2A (0.59) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL13248271 0.85 KMT2A (0.61) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL13248267 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL13248269 0.84 KMT2A (0.60) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8398863 0.84 KMT2A (0.60) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL16202224 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240255495-A1 COVALENT APTAMERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2024-08-01 — — US disclosed
WO-2022232195-A2 COVALENT APTAMERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-11-03 — — WO disclosed
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