SCHEMBL5487171

SCHEMBL5487171

O=C(O)C1CC1c1cccc(CCO)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.50
▸ CYP4A11 Q02928 3/20 0.50
▸ FFAR1 O14842 6/20 0.45
▸ GRM2 Q14416 4/20 0.42
▸ GRM3 Q14832 4/20 0.42
▸ KDM1A O60341 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ SLC9A1 P19634 2/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ ACMSD Q8TDX5 1/20 0.40

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
SCHEMBL3421589 0.83 CYP4F2 (0.47) CYP4F2CYP4A11FFAR1KDM1AMAOA
SCHEMBL30967881 0.79 FFAR1 (0.51) CYP4F2CYP4A11FFAR1KDM1AMAOA
SCHEMBL30967880 0.79 FFAR1 (0.51) CYP4F2CYP4A11FFAR1KDM1AMAOA
SCHEMBL5478594 0.76 POLB (0.52) CYP4F2CYP4A11KDM1A
SCHEMBL25169879 0.76 FFAR1 (0.50) FFAR1SLC9A1HDAC4
SCHEMBL29302377 0.76 AKR1C3 (0.51) FFAR1SLC9A1HDAC4
SCHEMBL4775489 0.76 FFAR1 (0.50) FFAR1SLC9A1HDAC4
SCHEMBL28669621 0.76 FFAR1 (0.50) FFAR1SLC9A1HDAC4
SCHEMBL24739852 0.76 AKR1C3 (0.51) FFAR1SLC9A1HDAC4
SCHEMBL28678691 0.76 FFAR1 (0.50) FFAR1SLC9A1HDAC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007516982-A — — 2007-06-28 — — JP claimed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 — — EP claimed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 — — WO claimed
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