SCHEMBL30745484

SCHEMBL30745484

COc1cc(O)c(C(=O)/C=C/c2ccc(F)cc2)cc1CN1CCNCC1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.49
▸ BACE1 P56817 1/20 0.49
▸ CTSL P07711 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42
▸ TUBB6 Q9BUF5 1/20 0.42
▸ TUBB2B Q9BVA1 1/20 0.42
▸ TUBB1 Q9H4B7 1/20 0.42
▸ APP P05067 1/20 0.41

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
SCHEMBL30745429 0.93 SMN1; SMN2 (0.42) SMN1; SMN2APPMAOBALDH1A1LMNA
SCHEMBL30745505 0.92 ABCG2 (0.42) ACHESMN1; SMN2APPCXCL12MAOB
SCHEMBL30745446 0.91 MAOB (0.44) SMN1; SMN2APPMEN1KMT2AMAOB
SCHEMBL30745414 0.90 ACHE (0.52) ACHEBACE1CTSLSMN1; SMN2TUBB4A
SCHEMBL30745455 0.88 ACHE (0.51) ACHEBACE1CTSLSMN1; SMN2TUBB4A
SCHEMBL30745490 0.86 ACHE (0.54) ACHEBACE1CTSLSMN1; SMN2TUBB4A
SCHEMBL30745456 0.85 MAPT (0.43) ACHEBACE1CTSLSMN1; SMN2TUBB4A
SCHEMBL30745442 0.82 ACHE (0.43) ACHEBACE1SMN1; SMN2APPCXCL12
SCHEMBL30745467 0.81 ABCG2 (0.46) ACHEBACE1SMN1; SMN2CXCL12MAOB
SCHEMBL30745493 0.81 ACHE (0.60) ACHEBACE1CTSLSMN1; SMN2TUBB4A

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
CN-117567303-A Chalcone Mannich base compound, pharmaceutical composition, preparation method and application thereof 安徽中医药大学 2024-02-20 — — CN claimed
CN-117567303-A Chalcone Mannich base compound, pharmaceutical composition, preparation method and application thereof 安徽中医药大学 2024-02-20 — — CN disclosed
Send feedback