SCHEMBL13619111

SCHEMBL13619111

CN1CCCC2CCC[C@@H](O)[C@H]21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAN2B1 O00754 1/20 0.41
▸ SLC18A3 Q16572 2/20 0.35
▸ DRD2 P14416 2/20 0.33
▸ L3MBTL3 Q96JM7 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31

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
SCHEMBL692453 1.00 MAN2B1 (0.41) MAN2B1SLC18A3DRD2L3MBTL3CA1
SCHEMBL24091359 0.77 GAA (0.31) MAN2B1SLC18A3
SCHEMBL23346690 0.74 THRB (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL614922 0.74 MAN2B1 (0.37) MAN2B1SLC18A3
SCHEMBL7893169 0.72 — —
SCHEMBL9710943 0.72 — —
SCHEMBL7881658 0.72 — —
SCHEMBL27006654 0.71 KMT5A (0.35) L3MBTL3
SCHEMBL19122758 0.71 CHRM2 (0.32) DRD2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10412843 0.71 — —

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
WO-2009134508-A2 METAL COMPLEXES USED AS DRIERS IN COATINGS BATTELLE MEMORIAL INSTITUTE (US) 2009-11-05 — — WO disclosed
Send feedback