SCHEMBL1159940

SCHEMBL1159940

CCC(C)(C)c1ccc(Oc2ccc(C(C)(C)CC)c(C)c2-c2ccc(C(C)(C)CC)cc2C(C)(C)CC)c(C(C)(C)CC)c1.OP(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.44
NPSR1 Q6W5P4 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 5/20 0.41
HTT P42858 3/20 0.41
UBE2N P61088 2/20 0.41
GLA P06280 1/20 0.41
MITF O75030 1/20 0.38
RAB9A P51151 4/20 0.38
RAD52 P43351 2/20 0.38
STAT3 P40763 1/20 0.38
RCE1 Q9Y256 1/20 0.38
APAF1 O14727 1/20 0.38
HSP90AA1 P07900 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NPC1 O15118 3/20 0.35
LMNA P02545 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
SCHEMBL29489559 0.77 MAPK1 (0.43) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL561156 0.77 MAPK1 (0.43) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL1159942 0.74 MAPK1 (0.37) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL562596 0.74 MAPK1 (0.42) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL561863 0.72 MAPK1 (0.42) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL11265812 0.72 MAPK1 (0.55) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4091307 0.72 MAPK1 (0.55) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL31059273 0.72 MAPK1 (0.55) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL27958957 0.72 MAPK1 (0.46) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL5551931 0.71 MAPK1 (0.55) MAPK1NPSR1SMN1; SMN2MEN1KMT2A

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