SCHEMBL29649451

SCHEMBL29649451

Cc1ccc(C(NCCCC[C@H](N)C(=O)Nc2ccc(CO)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.45
LTA4H P09960 3/20 0.44
SPHK2 Q9NRA0 1/20 0.42
KIF11 P52732 6/20 0.42
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CASR P41180 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL31681497 1.00 SPHK1 (0.45) SPHK1LTA4HSPHK2KIF11ALDH1A1
SCHEMBL18388780 0.89 LTA4H (0.48) SPHK1LTA4HKIF11CASR
SCHEMBL25223009 0.89 LTA4H (0.48) SPHK1LTA4HKIF11CASR
SCHEMBL25364554 0.87 SIRT1 (0.41) ALDH1A1MAPK1NPSR1
SCHEMBL25364561 0.87 SIRT1 (0.41) ALDH1A1MAPK1NPSR1
SCHEMBL29649439 0.86 MAPK1 (0.39) MAPK1NPSR1
SCHEMBL29649503 0.86 ALDH1A1 (0.44) LTA4HKIF11ALDH1A1MAPK1
SCHEMBL29649482 0.85 LTA4H (0.41) SPHK1LTA4HKIF11ALDH1A1CASR
SCHEMBL29602479 0.83 LTA4H (0.43) SPHK1LTA4HSPHK2KIF11
SCHEMBL26686610 0.83 LTA4H (0.43) SPHK1LTA4HSPHK2KIF11

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