SCHEMBL27288643

SCHEMBL27288643

COC(=O)c1cc(-c2ccccc2Cl)cc(C(=O)O)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 3/20 0.49
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PDK2 Q15119 2/20 0.44
SLC6A2 P23975 1/20 0.43
KDM4E B2RXH2 3/20 0.43
FTO Q9C0B1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
ERN1 O75460 1/20 0.42
PRSS12 P56730 1/20 0.41
DHODH Q02127 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
SCHEMBL27909628 0.79 ALDH1A1 (0.50) LMNAMEN1KMT2AALDH1A1HPGD
SCHEMBL5924701 0.78 PDK2 (0.58) SLC6A4SLC6A3LMNAMEN1KMT2A
SCHEMBL2409870 0.77 TSHR (0.49) SLC6A4SLC6A3LMNAALDH1A1HTT
SCHEMBL2437425 0.77 TSHR (0.49) SLC6A4SLC6A3LMNAALDH1A1HTT
SCHEMBL21037806 0.77 SLC6A3 (0.52) SLC6A4SLC6A3LMNAMEN1KMT2A
SCHEMBL21037808 0.77 SLC6A3 (0.52) SLC6A4SLC6A3LMNAMEN1KMT2A
SCHEMBL27838174 0.75 DHODH (0.53) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL20806423 0.75 SLC6A3 (0.54) SLC6A4SLC6A3LMNAMEN1KMT2A
SCHEMBL8500735 0.75 SLC6A3 (0.54) SLC6A4SLC6A3LMNAMEN1KMT2A
SCHEMBL28822988 0.75 ERN1 (0.52) LMNAMEN1KMT2AALDH1A1HTT

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
CN-1009831-B PROCESS FOR PREPARING HETEROCYCLE-OXO-2,3-DIAZANAPHTHYL-ACETIC ACID PFIZER (US) 1990-10-03 CN disclosed
CN-86108308-A Heterocycle oxo-2 guanidine-acetic acid 1987-07-15 CN disclosed