SCHEMBL31389232

SCHEMBL31389232

CC(C)(C)c1ccc(COc2cc(C(=O)O)nc3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NR4A2 P43354 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
XDH P47989 2/20 0.49
RXRA P19793 3/20 0.48
RXRB P28702 3/20 0.48
RXRG P48443 2/20 0.48
PTGER1 P34995 1/20 0.47
ADAM17 P78536 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45

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
SCHEMBL31389283 0.91 NR4A2 (0.46) ALOX15RAB9AL3MBTL1NR4A2NR4A1
SCHEMBL31389290 0.90 ALOX15 (0.47) ALOX15RAB9AL3MBTL1NR4A2NR4A1
SCHEMBL31389237 0.87 ALOX15 (0.64) ALOX15PTGER1ADAM17MRGPRX4
SCHEMBL2908552 0.87 ALOX15 (0.64) ALOX15PTGER1ADAM17MRGPRX4
Hydrochloric Acid SCHEMBL28687342 0.86 ALOX15 (0.62) ALOX15PTGER1ADAM17MRGPRX4
SCHEMBL31389259 0.85 ALOX15 (0.58) ALOX15XDHRXRARXRBRXRG
SCHEMBL31389252 0.84 ALOX15 (0.65) ALOX15RAB9ARXRAPTGER1ADAM17
SCHEMBL31389261 0.84 ALOX15 (0.57) ALOX15RAB9AL3MBTL1NR4A2XDH
SCHEMBL31389294 0.84 ALOX15 (0.57) ALOX15XDHRXRARXRBPTGER1
SCHEMBL31389239 0.84 ALOX15 (0.57) ALOX15L3MBTL1PTGER1MRGPRX4

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
CN-119264047-A Quinoline derivative histone deacetylase inhibitor and preparation method and application thereof 山东大学 2025-01-07 CN disclosed