SCHEMBL11080595

SCHEMBL11080595

CC(C(=O)O)C1Cc2ccc(F)cc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.55
NOTUM Q6P988 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CYP2D6 P10635 2/20 0.34
IDO1 P14902 1/20 0.34
NOS3 P29474 1/20 0.34
TRPA1 O75762 1/20 0.34
MTNR1B P49286 1/20 0.34
KIF11 P52732 1/20 0.33
BCHE P06276 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11077273 0.83 HTR2A (0.39) ACHENOTUM
SCHEMBL11084848 0.82 ACHE (0.51) ACHENOTUMDPP4DPP8DPP9
SCHEMBL11088030 0.80 ACHE (0.49) ACHEDPP4DPP8DPP9DPP7
SCHEMBL11079796 0.79 PNMT (0.42) ACHEBCHE
SCHEMBL11082337 0.74 METAP1 (0.47) ACHENOTUM
SCHEMBL11219735 0.74 METAP1 (0.47) ACHEPARP10
SCHEMBL28390141 0.74 ACHE (0.58) ACHEPARP1PARP10NOS3KMT2A
SCHEMBL29443084 0.72 ACHE (0.56) ACHEKMT2A
SCHEMBL4015424 0.72 ACHE (0.56) ACHEKMT2A
SCHEMBL29443082 0.72 ACHE (0.56) ACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443626-A ANTIINFLAMMATORY, ANTIALLERGENS, ANALGESICS, ANTICOAGULANTS, ANTIPRETICS, OR ANTICHOLESTEROL AGENTS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1984-04-17 US claimed
US-4443626-A ANTIINFLAMMATORY, ANTIALLERGENS, ANALGESICS, ANTICOAGULANTS, ANTIPRETICS, OR ANTICHOLESTEROL AGENTS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1984-04-17 US disclosed