SCHEMBL28625138

SCHEMBL28625138

CCN(CC)c1ccc2cc(C(=O)NCCCCC(C)NC(=O)OC(C)(C)C)c(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.52
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAOB P27338 3/20 0.51
▸ ATM Q13315 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ SLC16A3 O15427 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ SLC16A1 P53985 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ NPC1 O15118 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 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
SCHEMBL21806091 0.90 ALDH1A1 (0.52) GBA1MEN1KMT2AMAPTALDH1A1
SCHEMBL8398863 0.86 KMT2A (0.60) GBA1MEN1KMT2AMAPTALDH1A1
SCHEMBL30898572 0.83 ALDH1A1 (0.55) GBA1MEN1KMT2AMAPTALDH1A1
SCHEMBL27308862 0.83 ALDH1A1 (0.55) GBA1MEN1KMT2AMAPTALDH1A1
SCHEMBL27310733 0.83 ALDH1A1 (0.55) GBA1MEN1KMT2AMAPTALDH1A1
SCHEMBL19158987 0.81 KMT2A (0.54) GBA1MEN1KMT2AMAPTALDH1A1
SCHEMBL17737793 0.80 KMT2A (0.65) GBA1MEN1KMT2AMAPTALDH1A1
SCHEMBL13521824 0.79 ALDH1A1 (0.60) GBA1MEN1KMT2AMAPTALDH1A1
SCHEMBL27099971 0.79 KMT2A (0.57) GBA1MEN1KMT2AMAPTALDH1A1
SCHEMBL22473845 0.79 KMT2A (0.64) GBA1MEN1KMT2AMAPTALDH1A1

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
CN-113423698-A Coumarin-based crosslinking agents 文塔纳医疗系统公司 2021-09-21 — — CN disclosed
Send feedback