SCHEMBL3683697

SCHEMBL3683697

CCc1ccccc1OP(=O)(Oc1ccc(-c2ccccc2)cc1)Oc1ccccc1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL30039244 0.90 L3MBTL1 (0.47) CYP3A4TSHRL3MBTL1MAPTHPGD
SCHEMBL1958565 0.90 L3MBTL1 (0.47) CYP3A4TSHRL3MBTL1MAPTHPGD
SCHEMBL30335093 0.90 L3MBTL1 (0.47) CYP3A4TSHRL3MBTL1MAPTHPGD
SCHEMBL269292 0.90 L3MBTL1 (0.47) CYP3A4TSHRL3MBTL1MAPTHPGD
SCHEMBL3802352 0.90 NPC1 (0.40) CYP3A4TSHRL3MBTL1NPC1RAB9A
Phosphine SCHEMBL27989618 0.89 L3MBTL1 (0.46) CYP3A4TSHRL3MBTL1MAPTHPGD
SCHEMBL3688251 0.87 THRA (0.39)
SCHEMBL6439991 0.86 CYP3A4 (0.61) CYP3A4TSHRL3MBTL1MAPTHPGD
SCHEMBL11362507 0.86 CYP3A4 (0.61) CYP3A4TSHRL3MBTL1MAPTHPGD
SCHEMBL3684081 0.85 CYP1A2 (0.38) CYP3A4TSHRMAPTSMN1; SMN2HTT

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-20100168299-A1 Flame-Retardant Polyester Fibers and Preparation Process Thereof DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-07-01 US disclosed
EP-1857586-A1 FLAME-RETARDANT POLYESTER FIBER AND METHOD FOR PRODUCING SAME DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-11-21 EP disclosed