SCHEMBL31037702

SCHEMBL31037702

CC(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
KCNN4 O15554 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36

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
SCHEMBL12038615 0.81 APAF1 (0.42) MAPTRAB9AALDH1A1KCNN4CYP1A2
SCHEMBL26292979 0.81 APAF1 (0.42) MAPTRAB9AALDH1A1KCNN4CYP1A2
SCHEMBL16743931 0.79 MAPT (0.41) MAPTALDH1A1KCNN4CYP1A2CYP2D6
SCHEMBL28776911 0.79 MAPT (0.35) MAPTPOLBKCNN4CYP1A2LMNA
SCHEMBL26294014 0.78 MAPT (0.43) MAPTKCNN4CYP1A2CYP2D6LMNA
SCHEMBL26294391 0.78 MAPT (0.40) MAPTKCNN4CYP1A2CYP2D6LMNA
SCHEMBL26294139 0.78 MAPT (0.43) MAPTKCNN4CYP1A2CYP2D6LMNA
SCHEMBL19871023 0.78 MAPT (0.40) MAPTKCNN4CYP1A2CYP2D6LMNA
SCHEMBL15249334 0.77 ESRRB (0.47) MAPTALDH1A1KCNN4CYP1A2CYP3A4
SCHEMBL19871024 0.77 DPP4 (0.39) MAPTDPP4DPP8KCNN4CYP1A2

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-4658667-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY Merck Sharp & Dohme LLC (US) 2025-12-10 EP disclosed
WO-2024163691-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC (US) 2024-08-08 WO disclosed