SCHEMBL14559552

SCHEMBL14559552

CCCCC[C@@H](C)CCC(=O)N1C(=O)OC(c2ccccc2)C1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
GRM2 Q14416 5/20 0.36
ACE2 Q9BYF1 1/20 0.35
NAAA Q02083 1/20 0.35
IDH1 O75874 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MAPT P10636 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
SCHEMBL3126602 1.00 PTPN1 (0.37) PTPN1GRM2ACE2NAAAIDH1
SCHEMBL3123772 1.00 PTPN1 (0.37) PTPN1GRM2ACE2NAAAIDH1
SCHEMBL3123763 1.00 PTPN1 (0.37) PTPN1GRM2ACE2NAAAIDH1
SCHEMBL1199189 0.97 NAAA (0.35) PTPN1GRM2NAAAIDH1PTGDR2
SCHEMBL1199188 0.97 NAAA (0.35) PTPN1GRM2NAAAIDH1PTGDR2
SCHEMBL7154474 0.92 IDH1 (0.35) NAAAIDH1PTGDR2
SCHEMBL1198446 0.92 IDH1 (0.35) NAAAIDH1PTGDR2
SCHEMBL3744875 0.92 IDH1 (0.35) NAAAIDH1PTGDR2
SCHEMBL1198445 0.92 IDH1 (0.35) NAAAIDH1PTGDR2
SCHEMBL3112094 0.92 IDH1 (0.35) NAAAIDH1PTGDR2

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-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed