SCHEMBL5940992

SCHEMBL5940992

COC(C)C(Cl)C(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 3/20 0.56
ATM Q13315 2/20 0.56
LMNA P02545 2/20 0.56
HSP90AA1 P07900 2/20 0.53
GPR55 Q9Y2T6 1/20 0.53
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
KLK7 P49862 3/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL12724392 0.85 ALDH1A1 (0.57) ALDH1A1MAPTGAAATMLMNA
SCHEMBL11301646 0.84 MEN1 (0.54) ALDH1A1MAPTGAAATMLMNA
SCHEMBL10572607 0.82 MAPT (0.62) ALDH1A1MAPTGAAATMLMNA
SCHEMBL8927298 0.81 ALDH1A1 (0.61) ALDH1A1MAPTGAAATMLMNA
SCHEMBL10700016 0.80 MAPT (0.51) ALDH1A1MAPTGAAATMLMNA
SCHEMBL16713399 0.79 KLK7 (0.57) ALDH1A1MAPTGAAATMLMNA
SCHEMBL7978304 0.79 KLK7 (0.61) ALDH1A1MAPTGAAATMLMNA
SCHEMBL17847144 0.79 MAPT (0.54) ALDH1A1MAPTGAAATMLMNA
SCHEMBL2516508 0.78 ALDH1A1 (0.67) ALDH1A1MAPTGAAATMLMNA
SCHEMBL1754848 0.77 POLB (0.55) ALDH1A1MAPTGAAATMLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006023409-A1 SOLID POLYMERIC DISPERSANT COMPOSITION FOR WATER-INSOLUBLE ACTIVES ISP INVESTMENTS INC. (US) 2006-03-02 WO disclosed
US-20060039944-A1 Solid polymeric dispersant composition for water-insoluble actives ISP INVESTMENTS INC. 2006-02-23 US disclosed
WO-2004010781-A1 AQUEOUS SUSPENSION AGENT FOR WATER INSOLUBLE COMPOUNDS ISP INVESTMENTS, INC. (US) 2004-02-05 WO disclosed