SCHEMBL12615399

SCHEMBL12615399

CCCCOC(=O)N1CCC(C(=O)OCC)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.59
▸ GAA P10253 2/20 0.58
▸ ALDH1A1 P00352 7/20 0.56
▸ POLB P06746 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49

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
SCHEMBL27997797 0.95 GAA (0.59) MAPTGAAALDH1A1POLBLMNA
SCHEMBL3664936 0.94 LMNA (0.58) MAPTGAAALDH1A1POLBLMNA
SCHEMBL1720494 0.89 MAPT (0.72) MAPTGAAALDH1A1POLBHTT
SCHEMBL16102147 0.88 GAA (0.56) MAPTGAAALDH1A1POLBLMNA
SCHEMBL355693 0.84 SMN1; SMN2 (0.58) MAPTGAAALDH1A1POLBLMNA
SCHEMBL7096747 0.84 SMN1; SMN2 (0.58) MAPTGAAALDH1A1POLBLMNA
SCHEMBL5823241 0.83 GAA (0.73) MAPTGAAALDH1A1POLBLMNA
SCHEMBL27926602 0.83 ALDH1A1 (0.60) ALDH1A1POLBSMN1; SMN2HTTTSHR
SCHEMBL10039555 0.82 ALDH1A1 (0.58) MAPTGAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL7449135 0.82 POLB (0.63) GAAALDH1A1POLBLMNASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 — — EP disclosed
EP-3952998-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS Merck Patent GmbH (DE) 2022-02-16 — — EP disclosed
WO-2020210384-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2020-10-15 — — WO disclosed
EP-2688872-A1 AMIDOPYRAZOLE INHIBITORS OF INTERLEUKIN RECEPTOR-ASSOCIATED KINASES Merck Sharp & Dohme Corp. (US) 2014-01-29 — — EP disclosed
WO-2012129258-A1 AMIDOPYRAZOLE INHIBITORS OF INTERLEUKIN RECEPTOR-ASSOCIATED KINASES MERCK SHARP & DOHME CORP. (US) 2012-09-27 — — WO disclosed
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