SCHEMBL1159954

SCHEMBL1159954

CCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCC)c(-c3c(C)cc(C(C)(C)C)cc3C(C)(C)C)c2-c2c(C)cc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(CCCCCCCCC)c(-c3c(C)cc(C(C)(C)C)cc3C(C)(C)C)c2-c2c(C)cc(C(C)(C)C)cc2C(C)(C)C)c(-c2c(C)cc(C(C)(C)C)cc2C(C)(C)C)c1-c1c(C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 1/20 0.32
TYR P14679 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR1 P21554 3/20 0.31
ESR1 P03372 2/20 0.31

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
SCHEMBL1159956 0.91 TSHR (0.34) CNR2TSHRMEN1KMT2AALDH1A1
SCHEMBL1159412 0.79 KDM4E (0.31)
SCHEMBL10816668 0.77 THRA (0.41) CNR2TSHRCYP3A4ALOX5THRA
SCHEMBL10487314 0.77 THRA (0.41) CNR2TSHRCYP3A4ALOX5THRA
SCHEMBL10604018 0.75 CNR1 (0.38) CNR2ALOX5THRATHRBCNR1
SCHEMBL10605787 0.75 CNR1 (0.38) CNR2ALOX5THRATHRBCNR1
SCHEMBL11252007 0.74 GHSR (0.38) CNR2ALOX5THRATHRBCNR1
SCHEMBL16394087 0.72 MAPK1 (0.39) CNR2TSHRMEN1KMT2AALDH1A1
SCHEMBL11168622 0.70 CNR2 (0.43) CNR2CNR1GHSR
SCHEMBL11187569 0.70 CNR2 (0.43) CNR2CNR1GHSR

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