SCHEMBL29649482

SCHEMBL29649482

COC(=O)C(O)c1ccc(NC(=O)[C@@H](N)CCCCNC(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.41
ALDH1A1 P00352 2/20 0.39
SLC6A3 Q01959 1/20 0.38
KIF11 P52732 5/20 0.38
CASR P41180 1/20 0.38
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
ANPEP P15144 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR1 P21453 1/20 0.35
HTR1E P28566 1/20 0.34

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
SCHEMBL29649503 0.87 ALDH1A1 (0.44) LTA4HALDH1A1KIF11MEN1LMNA
SCHEMBL29649537 0.87 SSTR3 (0.42)
SCHEMBL31681497 0.85 SPHK1 (0.45) LTA4HALDH1A1KIF11CASRSPHK1
SCHEMBL29649451 0.85 SPHK1 (0.45) LTA4HALDH1A1KIF11CASRSPHK1
SCHEMBL29649438 0.81 LTA4H (0.43) LTA4HALDH1A1KIF11SPHK1ANPEP
SCHEMBL26024797 0.81 SPHK1 (0.45) LTA4HSPHK1ANPEPS1PR3S1PR1
SCHEMBL25361941 0.80 MDM2 (0.43)
SCHEMBL25361944 0.80 MDM2 (0.43)
SCHEMBL25208187 0.79 LTA4H (0.47) LTA4HKIF11CASRMEN1HTT
SCHEMBL26015649 0.79 SPHK1 (0.45) LTA4HSPHK1ANPEPS1PR3S1PR1

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
EP-4237008-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF Elucida Oncology, Inc. (US) 2023-09-06 EP disclosed
WO-2022093800-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. (US) 2022-05-05 WO disclosed