SCHEMBL6309166

SCHEMBL6309166

O=C(O)C1C[CH]CC(Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABAT P80404 1/20 0.42
▸ NOTUM Q6P988 9/20 0.35
▸ MAPT P10636 1/20 0.34
▸ CYP2C19 P33261 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GABRR1 P24046 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SLC1A3 P43003 1/20 0.32
▸ SLC1A2 P43004 1/20 0.32
▸ SLC1A1 P43005 1/20 0.32
▸ DUSP3 P51452 1/20 0.32

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
SCHEMBL5966217 0.85 ABAT (0.48) ABATCYP2C19RAB9AGABRR1LMNA
SCHEMBL5966268 0.79 — —
SCHEMBL301211 0.73 — —
SCHEMBL29954653 0.73 — —
SCHEMBL29957971 0.73 — —
SCHEMBL467937 0.73 — —
SCHEMBL11677505 0.71 CYP2C19 (0.41) ABATCYP2C19RAB9AGABRR1LMNA
Hydrochloric Acid SCHEMBL11820404 0.71 — —
SCHEMBL11758086 0.69 — —
SCHEMBL12491864 0.69 ABAT (0.60) ABATCYP2C19RAB9AGABRR1LMNA

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-6967205-B1 Compounds with antibacterial and antiparasitic properties NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-11-22 — — US disclosed
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