SCHEMBL27308862

SCHEMBL27308862

CCN(CC)c1ccc2cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ SLC16A3 O15427 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ SLC16A1 P53985 1/20 0.55
▸ KMT2A Q03164 8/20 0.53
▸ MEN1 O00255 7/20 0.53
▸ MAPT P10636 6/20 0.53
▸ ATM Q13315 4/20 0.53
▸ MAOB P27338 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ GBA1 P04062 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ STAT1 P42224 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
SCHEMBL27310733 1.00 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL30898572 1.00 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL21806091 0.90 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL8398863 0.85 KMT2A (0.60) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL28625138 0.83 GBA1 (0.52) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL27310284 0.80 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL16293207 0.80 KMT2A (0.73) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL15179178 0.80 KMT2A (0.64) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL24803042 0.78 MAOB (0.74) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL18470199 0.78 MEN1 (0.70) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10

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-2024073568-A2 EVOLUTION OF FLUOROGENIC SENSORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-04-04 — — WO disclosed
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