SCHEMBL8438690

SCHEMBL8438690

C=C(C)C[C](C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.55
CES1 P23141 10/20 0.54
CES2 O00748 10/20 0.54
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
XBP1 P17861 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL487605 0.79 KMT2A (0.67) EGFRCES1MAPTLMNASMN1; SMN2
SCHEMBL9663762 0.76 CES2 (0.65) EGFRCES1CES2MAPTLMNA
SCHEMBL759658 0.76 CES2 (0.65) EGFRCES1CES2MAPTLMNA
Dimethylamine SCHEMBL11024706 0.75 CES2 (0.58) EGFRCES1CES2MAPTLMNA
Benzil SCHEMBL542884 0.74 CES2 (0.67) EGFRCES1CES2MAPTLMNA
Hydrochloric Acid SCHEMBL27988189 0.74 CES2 (0.62) EGFRCES1CES2MAPTLMNA
SCHEMBL10893457 0.74 CES2 (0.62) EGFRCES1CES2MAPTLMNA
SCHEMBL7767040 0.74 MAOA (0.54) EGFRCES1CES2MAPTLMNA
SCHEMBL2023916 0.74 MAOA (0.43) EGFRCES1CES2MAPTLMNA
SCHEMBL10893465 0.74 CES2 (0.62) EGFRCES1CES2MAPTLMNA

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-0965656-A1 Method for selective activation and metallisation of materials University College Cork-National University of Ireland, Cork (IE) 1999-12-22 EP disclosed