SCHEMBL8745154

SCHEMBL8745154

C=Cc1ccc(CSCCC(CC(=O)O)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.39
CPA1 P15085 2/20 0.39
CPB1 P15086 1/20 0.39
CPA3 P15088 1/20 0.39
CPB2 Q96IY4 1/20 0.39
FOLH1 Q04609 5/20 0.38
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
HTT P42858 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
SCHEMBL8745131 0.92 FOLH1 (0.34) CYP2C19CPA1CPB1CPA3CPB2
SCHEMBL8745128 0.88 FOLH1 (0.45) CYP2C19CPA3FOLH1PTGER1PTGER4
SCHEMBL7093743 0.78 CPA1 (0.64) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL5674593 0.78 CYP2C19 (0.64) CYP2C19FOLH1ALDH1A1POLBHPGD
SCHEMBL4885034 0.75 HTT (0.56) CYP2C19ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL8435170 0.74 ALDH1A1 (0.58) CYP2C19CPA1CPB1CPA3CPB2
SCHEMBL6389194 0.74 ALDH1A1 (0.50) CYP2C19ALDH1A1POLBHPGDCYP2C9
SCHEMBL11618413 0.71 CPA1 (0.40) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL1026465 0.71 ALDH1A1 (0.42) CYP2C19ALDH1A1POLBHPGDCYP2C9
SCHEMBL6392514 0.70 ALDH1A1 (0.46) CYP2C19ALDH1A1POLBHPGDCYP2C9

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
EP-0466220-B1 Carboxy containing monomers and polymers and latices prepared from same JOHNSON & JOHNSON CLIN DIAG (US) 1997-01-29 EP claimed
EP-0462670-B1 Use of 1-(1-pyrrolidinylcarbonyl)pyridinium salts to attach compounds to caboxylated particles & a kit containing same JOHNSON & JOHNSON CLIN DIAG (US) 1996-08-21 EP claimed
EP-0462644-B1 Biologically active reagents prepared from carboxy-containing polymer, analytical element and methods of use JOHNSON & JOHNSON CLIN DIAG (US) 1995-10-18 EP claimed