SCHEMBL13008639

SCHEMBL13008639

C/C1=C(\C)CCCCC(C)(N)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL284611 0.80 — —
SCHEMBL8424624 0.76 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL22448471 0.76 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL284364 0.76 — —
Hydrochloric Acid SCHEMBL561324 0.76 — —
SCHEMBL24054976 0.76 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL853285 0.76 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL21120437 0.76 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL13559096 0.76 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL12094717 0.76 ALDH1A1 (0.38) ALDH1A1TDP1

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-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 — — EP disclosed
Send feedback