SCHEMBL22668495

SCHEMBL22668495

COC(=O)CC(c1ccc(OCc2ccc(OCC(=N)c3ccccc3)cc2)cc1)c1c(C)noc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.39
RORC P51449 1/20 0.39
CYP26A1 O43174 1/20 0.39
CYP3A4 P08684 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
POLB P06746 1/20 0.38
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR1 O14842 2/20 0.38
SMPD1 P17405 1/20 0.38
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL22668333 0.92 FFAR1 (0.44) MAPTL3MBTL1LMNAGAAPPARD
SCHEMBL15239180 0.89 FFAR1 (0.51) MAPTL3MBTL1LMNAMAOBGAA
SCHEMBL10260647 0.89 FFAR1 (0.51) MAPTL3MBTL1LMNAMAOBGAA
SCHEMBL22668072 0.85 MAPT (0.40) MAPTL3MBTL1LMNAGAARORC
SCHEMBL22668379 0.82 FFAR1 (0.51) L3MBTL1MAOBPPARDPPARASMN1; SMN2
SCHEMBL15239464 0.82 FFAR1 (0.54) MAPTL3MBTL1GAARORCPPARA
SCHEMBL10260473 0.82 FFAR1 (0.54) MAPTL3MBTL1GAARORCPPARA
SCHEMBL433532 0.76 ALDH1A1 (0.41) MAPTL3MBTL1GAACYP3A4POLB
SCHEMBL22668105 0.72 FFAR1 (0.60) FFAR1
SCHEMBL22668372 0.72 FFAR1 (0.47) L3MBTL1MAOBSMN1; SMN2FFAR1

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-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed