SCHEMBL10873072

SCHEMBL10873072

CCN1CCN(C(=O)NC(C(N)=O)c2ccc(OCc3ccccc3)cc2)C(=O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10873068 0.91 MMP2 (0.42) —
SCHEMBL10372875 0.88 GPR88 (0.39) —
SCHEMBL10543056 0.85 ACACB (0.41) ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL3731770 0.84 MAPT (0.43) SMN1; SMN2
SCHEMBL10643650 0.83 MAPT (0.37) SMN1; SMN2
SCHEMBL10493405 0.82 ATM (0.44) SMN1; SMN2
SCHEMBL10639866 0.79 FFAR1 (0.44) ALOX5NPC1SMN1; SMN2
SCHEMBL10361855 0.79 FAAH (0.49) ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7828421 0.79 ATM (0.42) —
SCHEMBL8597022 0.79 ATM (0.42) —

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
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 — — EP disclosed
Send feedback