SCHEMBL27626499

SCHEMBL27626499

CCCCCCCCCCCCCCCCCCOC1(C(=O)O)C=CC=CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NAAA Q02083 1/20 0.34
PLA2G4B P0C869 1/20 0.34
CES2 O00748 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PSEN1 P49768 3/20 0.33
RARB P10826 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL9272470 0.98 TP53 (0.33) PLA2G2ATP53TSHRNAAAPLA2G4B
SCHEMBL6802034 0.79 NPC1 (0.31) TP53
SCHEMBL27657748 0.74 EPHX1 (0.37) TSHRNAAACES2
SCHEMBL7818599 0.72
SCHEMBL27986241 0.72 TSHR (0.31) TSHR
SCHEMBL4182082 0.71 CHRM2 (0.39) TP53TSHRRARBMEN1KMT2A
SCHEMBL9462289 0.71 CHRM2 (0.39) TP53TSHRRARBMEN1KMT2A
Hydrochloric Acid SCHEMBL9842607 0.71 CHRM2 (0.38) TP53TSHRRARBMEN1KMT2A
SCHEMBL463549 0.70 PLA2G2A (0.38) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL28651335 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101328117-B 1-phenylalkanecarboxylic acid derivatives for the treatment of neurodegenerative diseases CHIESI FARMA SPA 2014-04-23 CN disclosed
CN-1984878-B Derivatives of 1-phenylalkanecarboxylic acids for the treatment of neurodegenerative diseases CHIESI FARMA SPA 2011-06-08 CN disclosed
CN-101328117-A 1-phenylalkanecarboxylic acid derivatives for the treatment of neurodegenerative diseases CHIESI FARMA SPA (IT) 2008-12-24 CN disclosed
CN-100398506-C 1-phenylalkanecarboxylic acid derivatives for the treatment of neurodegenerative diseases CHIESI FARMA SPA (IT) 2008-07-02 CN disclosed
CN-1984878-A Derivatives of 1-phenylalkanecarboxylic acids for the treatment of neurodegenerative diseases CHIESI FARMA SPA (IT) 2007-06-20 CN disclosed
CN-1751018-A 1-phenylalkanecarboxylic acid derivatives for the treatment of neurodegenerative diseases CHIESI FARMA SPA (IT) 2006-03-22 CN disclosed