SCHEMBL5514869

SCHEMBL5514869

Cc1ccc(OP(=O)(O)Oc2ccc(C)cc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HPGD P15428 3/20 0.40
LMNA P02545 1/20 0.40
INPPL1 O15357 1/20 0.40
INPP5A Q14642 1/20 0.40
HCRTR1 O43613 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL497308 0.91 HPGD (0.45) CYP3A4TSHRMEN1KMT2AL3MBTL1
SCHEMBL7918907 0.90 HPGD (0.51) MEN1KMT2AHPGDLMNAHCRTR1
SCHEMBL7640515 0.87 HPGD (0.41) MEN1KMT2AL3MBTL1HPGDLMNA
SCHEMBL157866 0.84 TSHR (0.67) CYP3A4TSHRMEN1KMT2ACES2
SCHEMBL5597453 0.83 TDP1 (0.46) CYP3A4TSHRMEN1KMT2AL3MBTL1
SCHEMBL10983224 0.83 HPGD (0.43) MEN1KMT2AL3MBTL1HPGDLMNA
SCHEMBL1960509 0.83 TSHR (0.68) CYP3A4TSHRMEN1KMT2AL3MBTL1
SCHEMBL1317610 0.83 TSHR (0.68) CYP3A4TSHRMEN1KMT2AL3MBTL1
SCHEMBL8884790 0.82 TSHR (0.64) CYP3A4TSHRMEN1KMT2ACES2
Fluoride SCHEMBL31047203 0.82 TSHR (0.64) CYP3A4TSHRMEN1KMT2ACES2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8562873-B2 Flame retarder composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-10-22 US disclosed
US-20070040154-A1 Flame retarder composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-02-22 US disclosed