SCHEMBL29585378

SCHEMBL29585378

CCOC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)ncc3F)[nH]n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ DPP4 P27487 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL24423905 1.00 NPC1 (0.48) NPC1RAB9AKMT2AMEN1DPP4
SCHEMBL24423445 0.88 GAA (0.40) RAB9AKMT2AGAA
SCHEMBL29584681 0.88 GAA (0.40) RAB9AKMT2AGAA
SCHEMBL29585699 0.87 ALDH1A1 (0.41) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL24424363 0.83 FFAR4 (0.37) —
SCHEMBL29585218 0.83 NPC1 (0.40) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL24424619 0.82 KDM5A (0.40) KMT2AMEN1ALDH1A1
SCHEMBL29583319 0.82 KDM5A (0.40) KMT2AMEN1ALDH1A1
SCHEMBL24423815 0.81 MEN1 (0.46) KMT2AMEN1ALDH1A1
SCHEMBL24423814 0.81 MEN1 (0.46) KMT2AMEN1ALDH1A1

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-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 — — EP disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
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