SCHEMBL4630465

SCHEMBL4630465

CCc1sc(-c2ccc(C(=O)O)cc2)nc1OCC(=O)NC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.51
RARG P13631 2/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RARA P10276 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL4190628 0.88 RARB (0.63) RARBRARGKMT2AMEN1POLB
SCHEMBL4326646 0.87 RARB (0.62) RARBRARGKMT2AMEN1L3MBTL1
SCHEMBL4184893 0.87 RARB (0.62) RARBRARGKMT2AMEN1L3MBTL1
SCHEMBL4192389 0.80 RARB (0.61) RARBRARGKMT2AMEN1RARA
SCHEMBL13779497 0.69 KMT2A (0.43) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL4187456 0.69 RARB (0.62) RARBRARGKMT2AMEN1RARA
SCHEMBL2946732 0.69 L3MBTL1 (0.78) RARBRARGKMT2AMEN1L3MBTL1
SCHEMBL4196901 0.69 RARB (0.92) RARBRARGKMT2AMEN1TSHR
SCHEMBL4190671 0.67 RARB (1.00) RARBRARGRARA
SCHEMBL5659943 0.67 KMT2A (0.52) KMT2AMEN1L3MBTL1TSHRHSD17B10

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-1907347-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS Arcadia Pharmaceuticals Inc. (US) 2008-04-09 EP disclosed
WO-2007009083-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-01-18 WO disclosed