SCHEMBL1159690

SCHEMBL1159690

CCC(C)(C)c1cc(C(C)(C)CC)c(-c2c(OP(O)O)ccc(C(C)(C)CC)c2-c2cc(C)c(C(C)(C)CC)cc2C(C)(C)CC)cc1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL1159813 0.85
SCHEMBL561156 0.83 MAPK1 (0.43) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL29489559 0.83 MAPK1 (0.43) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL1159814 0.80
SCHEMBL1159719 0.80
SCHEMBL562596 0.72 MAPK1 (0.42) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL1159671 0.71
SCHEMBL1159365 0.71
SCHEMBL27958957 0.70 MAPK1 (0.46) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL10604025 0.70

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
US-8183311-B2 Liquid phosphite composition derived from cresols CHEMTURA CORPORATION (US) 2012-05-22 US disclosed
WO-2011014211-A1 LIQUID PHOSPHITE COMPOSITION DERIVED FROM META-CRESOLS CHEMTURA CORPORATION (US) 2011-02-03 WO disclosed
US-20100076125-A1 LIQUID PHOSPHITE COMPOSITION DERIVED FROM CRESOLS CHEMTURA CORPORATION (US) 2010-03-25 US disclosed