SCHEMBL30006435

SCHEMBL30006435

NNC(=O)C1CCc2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PTGS2 P35354 3/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 2/20 0.43
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL346274 0.86 ACHE (0.51) ACHESMN1; SMN2NPC1RAB9APTGS2
SCHEMBL8050743 0.84 MAPT (0.51) ACHESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL31522714 0.82 DDB1 (0.56) ACHESMN1; SMN2NPC1RAB9APTGS2
SCHEMBL8021509 0.80 ACHE (0.54) ACHESMN1; SMN2NPC1RAB9APTGS2
SCHEMBL599710 0.79 ACHE (0.53) ACHESMN1; SMN2NPC1RAB9APTGS2
SCHEMBL29415781 0.79 PIN1 (0.54)
SCHEMBL19207602 0.79 PIN1 (0.54)
SCHEMBL29458360 0.79 ACHE (0.53) ACHESMN1; SMN2NPC1RAB9APTGS2
SCHEMBL578148 0.78 ACHE (0.50) ACHESMN1; SMN2NPC1RAB9APTGS2
SCHEMBL30023013 0.78 ACHE (0.50) ACHESMN1; SMN2NPC1RAB9APTGS2

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-4079805-B1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER IND (JP) 2026-02-18 EP disclosed
EP-4079805-A1 RUBBER COMPOSITION AND TIRE Sumitomo Rubber Industries, Ltd. (JP) 2022-10-26 EP disclosed