SCHEMBL10696722

SCHEMBL10696722

O=CCn1cc(CC(=O)O)c2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.49
TBXAS1 P24557 1/20 0.46
CNR1 P21554 1/20 0.42
KRAS P01116 3/20 0.42
AKR1A1 P14550 1/20 0.41
AKR1B1 P15121 1/20 0.41
PLK1 P53350 3/20 0.41
ICMT O60725 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CDC25A P30304 1/20 0.40
PLA2G2A P14555 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL10693439 0.84 CNR2 (0.48) CNR2TBXAS1CNR1KRASICMT
SCHEMBL7679351 0.81 ALDH1A1 (0.62) ICMTALDH1A1LMNAPLA2G2A
SCHEMBL7682923 0.80 ICMT (0.54) CNR2TBXAS1CNR1KRASICMT
SCHEMBL4668108 0.78 TBXAS1 (0.44) CNR2TBXAS1CNR1ALDH1A1LMNA
SCHEMBL9236079 0.78 CDC25A (0.70) CNR2CNR1ICMTCDC25A
SCHEMBL8181539 0.77 CDC25A (0.52) CNR2TBXAS1CNR1KRASICMT
SCHEMBL22439063 0.77 ICMT (0.48) CNR2TBXAS1CNR1KRASICMT
SCHEMBL8176472 0.77 ALDH1A1 (0.55) CNR2ICMTALDH1A1LMNAPLA2G2A
SCHEMBL8173706 0.76 KEAP1 (0.48) CNR2TBXAS1CNR1AKR1A1AKR1B1
SCHEMBL8171679 0.76 ALDH1A1 (0.54) TBXAS1ICMTALDH1A1LMNAPLA2G2A

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
EP-0252404-A2 5-Hydroxy-3-indoleacetic acid fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1988-01-13 EP disclosed