SCHEMBL31245846

SCHEMBL31245846

COC(=O)c1cc(C(=O)NCCCN2CCN(C)CC2)cc(C(=O)OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.67
▸ LMNA P02545 3/20 0.62
▸ SLC29A1 Q99808 1/20 0.60
▸ RAD52 P43351 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL31246006 0.86 MAPT (0.63) MAPTLMNASLC29A1RAD52ALDH1A1
SCHEMBL31245936 0.85 MAPT (0.61) MAPTLMNASLC29A1RAD52ALDH1A1
SCHEMBL10720314 0.85 ALDH1A1 (0.70) MAPTLMNASLC29A1ALDH1A1SMN1; SMN2
SCHEMBL28240023 0.82 MAPT (0.61) MAPTLMNASLC29A1RAD52ALDH1A1
SCHEMBL31245956 0.81 MAPT (0.57) MAPTLMNASLC29A1RAD52ALDH1A1
SCHEMBL5487158 0.80 SMYD2 (0.62) MAPTSLC29A1ATMMEN1KMT2A
SCHEMBL16227646 0.79 ALDH1A1 (0.69) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL1833770 0.78 POLB (0.62) MAPTLMNASLC29A1ALDH1A1SMN1; SMN2
SCHEMBL7824081 0.78 LMNA (0.67) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL178534 0.78 KMT2A (0.71) MAPTLMNARAD52ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4687854-A2 LIPIDS AND LIPID-LIKE COMPOUNDS FOR THERAPEUTIC LIPID NANOPARTICLE (LNP) DELIVERY Flagship Labs 114, Inc. (US) 2026-02-11 — — EP disclosed
WO-2024211865-A2 LIPIDS AND LIPID-LIKE COMPOUNDS FOR THERAPEUTIC LIPID NANOPARTICLE (LNP) DELIVERY OMEGA THERAPEUTICS, INC. (US) 2024-10-10 — — WO disclosed
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