SCHEMBL24522232

SCHEMBL24522232

CCC(CCOC)Nc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
MAPK1 P28482 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
PSIP1 O75475 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
GAA P10253 3/20 0.37
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL24709986 0.87 L3MBTL1 (0.46) L3MBTL1MAPK1TAS1R3TAS1R1CYP1A2
SCHEMBL24710213 0.73 L3MBTL1 (0.59) L3MBTL1MAPK1POLBPSIP1KMT2A
SCHEMBL25854719 0.71 L3MBTL1 (0.49) L3MBTL1MAPK1POLBPSIP1KMT2A
SCHEMBL13626620 0.69 TAS1R3 (0.41) TAS1R3TAS1R1KMT2AMEN1GAA
SCHEMBL7132787 0.69 L3MBTL1 (0.48) L3MBTL1MAPK1TAS1R3TAS1R1CYP1A2
SCHEMBL12674141 0.68 TAS1R3 (0.41) MAPK1TAS1R3TAS1R1POLBGAA
Hydrochloric Acid SCHEMBL29608494 0.67 SIGMAR1 (0.42) L3MBTL1CYP3A4POLBKMT2AMEN1
SCHEMBL31092471 0.66 SMN1; SMN2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL12666642 0.66 POLB (0.38) MAPK1TAS1R3TAS1R1POLBKMT2A
SCHEMBL632301 0.66 L3MBTL1 (0.49) L3MBTL1MAPK1CYP1A2CYP3A4CYP2C9

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-4015504-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2022-06-22 EP disclosed