SCHEMBL11472005

SCHEMBL11472005

C[C@H](Nc1cccc(C(=O)c2ccc(Cl)cc2)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
ITGA1 P56199 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PTGS2 P35354 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
PTGS1 P23219 2/20 0.46
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
RECQL P46063 2/20 0.46
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
PMP22 Q01453 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CXCL8 P10145 1/20 0.46

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
SCHEMBL11453059 0.90 PTGS1 (0.55) L3MBTL1PTGS2SMN1; SMN2MAPTLMNA
SCHEMBL11453058 0.90 PTGS1 (0.55) L3MBTL1PTGS2SMN1; SMN2MAPTLMNA
Water SCHEMBL11454954 0.88 PTGS1 (0.54) L3MBTL1PTGS2SMN1; SMN2MAPTLMNA
Water SCHEMBL11454953 0.88 PTGS1 (0.54) L3MBTL1PTGS2SMN1; SMN2MAPTLMNA
SCHEMBL11464120 0.87 MAPT (0.52) L3MBTL1PTGS2SMN1; SMN2MAPTLMNA
SCHEMBL4448947 0.81 HPGD (0.54) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL4448945 0.81 HPGD (0.54) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL31006729 0.81 ALDH1A1 (0.53) L3MBTL1SMN1; SMN2MAPTALDH1A1KDM4E
Methane SCHEMBL8701106 0.79 HPGD (0.53) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL17785165 0.79 KMT2A (0.58) SMN1; SMN2ALDH1A1HPGDMAPK1KMT2A

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-4223039-A ANALGESICS METABIO JOULLIE (FR) 1980-09-16 US claimed