SCHEMBL30464802

SCHEMBL30464802

Cc1ccc(OCCO)c(C)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
IDO1 P14902 1/20 0.40
LOX P28300 1/20 0.39
AOC3 Q16853 1/20 0.39
TUBB1 Q9H4B7 1/20 0.36
ALDH1A1 P00352 5/20 0.35
RECQL P46063 1/20 0.35
HTR1B P28222 1/20 0.35
TSHR P16473 2/20 0.34
KMT2A Q03164 4/20 0.33
GAA P10253 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ESR1 P03372 1/20 0.33
IKBKB O14920 1/20 0.33
NR1I2 O75469 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL25236092 1.00 POLB (0.42) POLBIDO1LOXAOC3TUBB1
SCHEMBL2939579 0.87 IDO1 (0.41) POLBIDO1LOXAOC3TUBB1
SCHEMBL8527585 0.80 IDO1 (0.39) POLBIDO1LOXAOC3TUBB1
SCHEMBL11768488 0.79 IDO1 (0.41) POLBIDO1LOXAOC3TUBB1
SCHEMBL28319284 0.79 POLB (0.46) POLBAOC3ALDH1A1TSHRKMT2A
SCHEMBL11705753 0.78 LOX (0.39) IDO1LOXAOC3TUBB1ALDH1A1
SCHEMBL10633040 0.78 ALDH1A1 (0.44) IDO1ALDH1A1RECQLHTR1BTSHR
SCHEMBL29869475 0.76 POLB (0.43) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL23903581 0.76 POLB (0.43) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL11704652 0.74 KDM4E (0.47) POLBIDO1TUBB1ALDH1A1TSHR

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
WO-2023114977-A1 S1PR4 RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF TIAKI THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed