SCHEMBL29448341

SCHEMBL29448341

COCC(=O)OC1=CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
MAPT P10636 4/20 0.34
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
VDR P11473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.33
PKM P14618 1/20 0.33
CASP6 P55212 1/20 0.33
NAMPT P43490 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8673758 0.82 ALDH1A1 (0.31) MAPTALDH1A1SMN1; SMN2
SCHEMBL31072334 0.80 ALDH1A1 (0.35) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL7633782 0.79 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL29567086 0.79 CES2 (0.40) MAPTALDH1A1MEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL29568100 0.79 CES2 (0.40) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL27447443 0.73 KMT2A (0.43) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL1906829 0.73 MAPT (0.33) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL1906828 0.73 MAPT (0.33) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL6909323 0.73 CDC25A (0.38) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL25176054 0.70 PTPRC (0.44) MAPTALDH1A1RAB9AMEN1KMT2A

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-3947363-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC (US) 2022-02-09 EP disclosed