SCHEMBL23143221

SCHEMBL23143221

CC(C)(OC(=O)NC1CCC(CC2CCC(NC(=O)OC(C)(C)c3ccccc3)CC2)CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ KCNA3 P22001 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL16939919 0.80 ALDH1A1 (0.52) DRD2KMT2AALDH1A1RAB9A
SCHEMBL20865563 0.78 BTK (0.51) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL7467219 0.76 KMT2A (0.58) DRD2KDM1AMAOBKCNA3KMT2A
SCHEMBL7781314 0.76 ALDH1A1 (0.69) DRD2ALDH1A1RAB9ACKS1BSKP1
SCHEMBL2649557 0.74 KDM1A (0.55) DRD2KDM1AMAOBKCNA3KMT2A
SCHEMBL2649560 0.74 KDM1A (0.55) DRD2KDM1AMAOBKCNA3KMT2A
SCHEMBL1849163 0.74 DRD2 (0.56) DRD2KDM1AMAOBKCNA3KMT2A
SCHEMBL1849161 0.74 DRD2 (0.56) DRD2KDM1AMAOBKCNA3KMT2A
SCHEMBL15105537 0.73 TRPV1 (0.52) DRD2KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL30324560 0.73 KMT2A (0.55) DRD2KDM1AMAOBKCNA3KMT2A

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-2021059189-A1 MOLDING PROCESS AND COMPOSITIONS THEREFOR 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-04-01 — — WO disclosed
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