SCHEMBL9561810

SCHEMBL9561810

C=Cc1ccc(CSCCN(SCC(=O)O)C(C)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 3/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
STK17B O94768 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
PTGER1 P34995 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
XBP1 P17861 1/20 0.31

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
SCHEMBL8745146 0.81 CYP2C19 (0.35) CYP2C19POLBHPGDALDH1A1LMNA
SCHEMBL8745104 0.79 CYP2C19 (0.37) CYP2C19HTTPOLBHPGDALDH1A1
SCHEMBL4885034 0.78 HTT (0.56) CYP2C19HTTPOLBALDH1A1LMNA
SCHEMBL5674593 0.75 CYP2C19 (0.64) CYP2C19HTTPOLBHPGDALDH1A1
SCHEMBL15841312 0.73 CA2 (0.40) POLBALDH1A1
Glycolic Acid SCHEMBL8745106 0.71 CYP2C19 (0.37) CYP2C19HTTPOLBHPGDALDH1A1
SCHEMBL8745098 0.71 ALDH1A1 (0.53) CYP2C19POLBHPGDALDH1A1LMNA
SCHEMBL6389194 0.71 ALDH1A1 (0.50) CYP2C19POLBHPGDALDH1A1MEN1
SCHEMBL1026465 0.68 ALDH1A1 (0.42) CYP2C19POLBHPGDALDH1A1MEN1
SCHEMBL14732603 0.68 ALDH1A1 (0.42) CYP2C19POLBALDH1A1LMNATSHR

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
EP-0530357-A1 ELEMENT AND METHOD FOR NUCLEIC ACID AMPLIFICATION AND DETECTION USING ADHERED PROBES. EASTMAN KODAK CO (US) 1993-03-10 EP disclosed
WO-1992016659-A1 ELEMENT AND METHOD FOR NUCLEIC ACID AMPLIFICATION AND DETECTION USING ADHERED PROBES EASTMAN KODAK COMPANY (US) 1992-10-01 WO disclosed