SCHEMBL7609362

SCHEMBL7609362

CC(CCc1ccccc1)P(=O)(O)OC(CCC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
CPA1 P15085 1/20 0.44
CPA2 P48052 1/20 0.44
CPA4 Q9UI42 1/20 0.44
KEAP1 Q14145 1/20 0.41
ANPEP P15144 2/20 0.41
ERAP1 Q9NZ08 2/20 0.41
CPA3 P15088 1/20 0.41
ERAP2 Q6P179 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5051276 0.80 FOLH1 (0.50) FOLH1KEAP1CPA3SMN1; SMN2
SCHEMBL5051274 0.80 FOLH1 (0.44) FOLH1CPA3
SCHEMBL1376074 0.79 ACE (0.51) FOLH1PPARGPPARASMN1; SMN2
SCHEMBL5053099 0.78 ACE (0.55) FOLH1SMN1; SMN2
SCHEMBL1377537 0.77 FOLH1 (0.52) FOLH1CPA3
SCHEMBL5057994 0.76 GGH (0.43) FOLH1CPA3
SCHEMBL5060148 0.75 FOLH1 (0.42) FOLH1CPA3
SCHEMBL5052867 0.75 FOLH1 (0.42) FOLH1
SCHEMBL5053095 0.74 FOLH1 (0.41) FOLH1PPARGPPARA
SCHEMBL2368593 0.74 HDAC3 (0.46) FOLH1KEAP1CPA3PPARGPPARA

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-2002514185-A 2002-05-14 JP claimed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP claimed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed