SCHEMBL8627222

SCHEMBL8627222

CC(=O)N[C@@H](CSC1(O)C=Cc2ccccc2C1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.43
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
PAM P19021 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
GNPAT O15228 1/20 0.33
PRNP P04156 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 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
SCHEMBL8627219 1.00 SLC22A6 (0.43) SLC22A6KDM4EMAPTALDH1A1RAB9A
SCHEMBL28339704 0.70 PAM (0.39) SLC22A6KDM4EMAPTALDH1A1RAB9A
SCHEMBL28546283 0.69 TP53 (0.32) RAB9AMTNR1AMTNR1BNFKB1SMN1; SMN2
SCHEMBL4542367 0.66 MTNR1A (0.69) KDM4EMAPTALDH1A1PAMIDO1
SCHEMBL3317629 0.66 MTNR1A (0.69) KDM4EMAPTALDH1A1PAMIDO1
SCHEMBL8310917 0.64 GPR139 (0.51) KDM4EMAPTALDH1A1PAMIDO1
SCHEMBL7282451 0.64 ACE (0.67) ACE
SCHEMBL11550552 0.64 ACE (0.61) KDM4EMAPTALDH1A1RAB9APAM
SCHEMBL7283024 0.64 ACE (0.67) ACE
SCHEMBL2920161 0.64 POLB (0.34) MAPTALDH1A1

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-5780250-A Immunoassay standards for polyaromatic hydrocarbon detection STRATEGIC DIAGNOSTICS, INC. (US) 1998-07-14 US disclosed