SCHEMBL27137259

SCHEMBL27137259

COCCCCNCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.42
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
PIK3CD O00329 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13519643 0.93 KDM4E (0.46) KDM4ECYP1A2CYP2C19CYP2D6MAPK1
SCHEMBL438704 0.84 L3MBTL1 (0.40) KDM4EALDH1A1KMT2AMEN1PIK3CD
SCHEMBL25075398 0.83 KDM4E (0.46) KDM4ECYP1A2CYP2C19CYP2D6MAPK1
SCHEMBL10045163 0.81 CYP2C19 (0.48) CYP1A2CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL10045158 0.81 CYP2C19 (0.48) CYP1A2CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL14829804 0.81 TSHR (0.43) CYP1A2CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL7067353 0.81 KDM4E (0.44) KDM4ECYP1A2CYP2C19CYP2D6MAPK1
SCHEMBL11932518 0.80 KDM4E (0.39) KDM4ECYP1A2CYP2C19CYP2D6MAPK1
SCHEMBL29343849 0.79 KDM4E (0.38) KDM4ECYP1A2CYP2C19CYP2D6MAPK1
SCHEMBL10045165 0.79 CYP2C19 (0.46) CYP1A2CYP2C19ALDH1A1KMT2AMEN1

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
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 EP disclosed