SCHEMBL6949506

SCHEMBL6949506

O=CCc1ccc2cc[n+]([O-])cc2c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
RAB9A P51151 1/20 0.30
VDR P11473 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL6992567 0.75 ACHE (0.41) BCHEACHECA12CA1CA2
SCHEMBL6947557 0.72 HTR2A (0.36) BCHEACHE
SCHEMBL720558 0.71 CYP1A2 (0.56) RAB9AVDR
SCHEMBL29955760 0.71 CYP1A2 (0.56) RAB9AVDR
SCHEMBL17336725 0.71 CYP3A4 (0.42)
SCHEMBL6510805 0.68 GPR84 (0.47)
SCHEMBL7002379 0.68 CYP2A6 (0.46) ACHE
SCHEMBL18733501 0.68 CYP1A2 (0.46) ACHE
SCHEMBL11737832 0.68 CYP1A2 (0.57) BCHEACHERAB9ACA2
SCHEMBL31426083 0.68 CYP2A6 (0.46) ACHE

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
US-6509351-B1 A method of inhibiting TNF- alpha in a patient in need thereof which comprises administering to said patient an effective amount of a compound for inflamation SANOFI-SYNTELABO (FR) 2003-01-21 US disclosed