SCHEMBL1159942

SCHEMBL1159942

CCC(C)(C)c1ccc(-c2cc(OP(O)O)c(-c3ccc(C(C)(C)CC)cc3C(C)(C)CC)c(C)c2C(C)(C)CC)c(C(C)(C)CC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
NPSR1 Q6W5P4 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 4/20 0.35
HTT P42858 3/20 0.35
UBE2N P61088 2/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
CASP3 P42574 1/20 0.33
ATM Q13315 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MITF O75030 1/20 0.33
RAD52 P43351 2/20 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
SCHEMBL561863 0.85 MAPK1 (0.42) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL1159814 0.81
SCHEMBL27958957 0.80 MAPK1 (0.46) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL561156 0.80 MAPK1 (0.43) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL29489559 0.80 MAPK1 (0.43) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL1160371 0.77 CNR1 (0.32) ALDH1A1MAPTGLARAB9ANPC1
SCHEMBL31059273 0.76 MAPK1 (0.55) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL4091307 0.76 MAPK1 (0.55) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL1159940 0.74 MAPK1 (0.44) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL560864 0.74 NPC1 (0.31) MAPK1SMN1; SMN2RAB9ANPC1LMNA

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