SCHEMBL8101683

SCHEMBL8101683

Cc1cc(C)c(C(=O)CCl)c(C)c1C(=O)CCl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.42
MITF O75030 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 3/20 0.37
HIF1A Q16665 2/20 0.37
TRPA1 O75762 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL11360578 0.86 GSK3B (0.42) GSK3BMITFMAPTALDH1A1LMNA
SCHEMBL9064055 0.82 ALDH1A1 (0.46) GSK3BMITFMAPTALDH1A1LMNA
SCHEMBL23071761 0.78 ALDH1A1 (0.38) GSK3BMITFMAPTALDH1A1LMNA
SCHEMBL23071750 0.78 ALDH1A1 (0.38) GSK3BMITFMAPTALDH1A1LMNA
SCHEMBL29463755 0.78 ALDH1A1 (0.38) GSK3BMITFMAPTALDH1A1LMNA
SCHEMBL23071749 0.74 KMT2A (0.36) GSK3BMITFMAPTALDH1A1LMNA
SCHEMBL5037304 0.73 ALDH1A1 (0.39) MAPTALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL6063144 0.73 GSK3B (0.50) GSK3BMITFMAPTALDH1A1LMNA
SCHEMBL16632821 0.72 ALDH1A1 (0.54) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL8106142 0.70 CYP3A4 (0.54) MAPTALDH1A1KMT2ANPSR1MAPK1

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
EP-0601413-B1 Method for the productin of Arene bisphosphinoxides BASF AG (DE) 2000-01-26 EP disclosed
US-5410060-A Haloacetylation, carboxylation, phosphination BASF AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
EP-0601413-A1 Arene bisphosphinoxides BASF Aktiengesellschaft (DE) 1994-06-15 EP disclosed