SCHEMBL25010445

SCHEMBL25010445

CC(C)C1CN(C(=O)OC(C)(C)C)CC1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.47
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ USP30 Q70CQ3 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ MEN1 O00255 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
SCHEMBL12125451 0.85 HPGD (0.47) NR1H2USP2SMN1; SMN2HPGDKDM4E
SCHEMBL17173129 0.83 NR1H2 (0.45) NR1H2USP2SMN1; SMN2HPGDKDM4E
SCHEMBL17173130 0.83 NR1H2 (0.45) NR1H2USP2SMN1; SMN2HPGDKDM4E
SCHEMBL12035619 0.83 NR1H2 (0.58) NR1H2USP2SMN1; SMN2HPGDKDM4E
SCHEMBL15764146 0.83 NR1H2 (0.58) NR1H2USP2SMN1; SMN2HPGDKDM4E
SCHEMBL15764147 0.83 NR1H2 (0.58) NR1H2USP2SMN1; SMN2HPGDKDM4E
SCHEMBL13801217 0.83 NR1H2 (0.58) NR1H2USP2SMN1; SMN2HPGDKDM4E
SCHEMBL16472256 0.82 CHRNB2 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL16587760 0.82 NR1H2 (0.48) NR1H2USP2SMN1; SMN2HPGDKDM4E
SCHEMBL442977 0.82 NR1H2 (0.44) NR1H2USP2SMN1; SMN2HPGDKDM4E

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
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 — — WO disclosed
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