SCHEMBL16660338

SCHEMBL16660338

O=C(Oc1ccc2ccccc2c1-c1c(OC(=O)c2ccc3cc(O)ccc3c2)ccc2ccccc12)c1ccc2cc(O)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CLK1 P49759 1/20 0.49
DYRK1A Q13627 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
ESR1 P03372 2/20 0.45
ESR2 Q92731 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX5 P09917 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAPT P10636 3/20 0.42
TRPV1 Q8NER1 1/20 0.42
PTGES O14684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL16660301 0.95 KMT2A (0.48) KMT2AMEN1NPC1RAB9ACLK1
SCHEMBL4943531 0.90 MAPT (0.46) KMT2AMEN1ESR1ESR2ALOX5
SCHEMBL16660305 0.89 KMT2A (0.55) KMT2AMEN1NPC1ESR1ESR2
SCHEMBL16660337 0.89 KMT2A (0.42) KMT2AMEN1NPC1RAB9ACLK1
SCHEMBL16749181 0.89 KMT2A (0.43) KMT2AMEN1NPC1RAB9ACLK1
SCHEMBL28022689 0.89 ALOX5 (0.56) KMT2AMEN1NPC1RAB9ACLK1
SCHEMBL16660340 0.88 KMT2A (0.54) KMT2AMEN1NPC1ESR1ESR2
SCHEMBL16749087 0.86 KMT2A (0.43) KMT2AMEN1NPC1RAB9ACLK1
SCHEMBL17433030 0.86 KMT2A (0.49) KMT2AMEN1ESR1ESR2CYP1A2
SCHEMBL17432932 0.86 KMT2A (0.49) KMT2AMEN1ESR1ESR2CYP1A2

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-9505980-B2 Polymerizable liquid crystal composition and optically anisotropic substance having twist alignment JNC CORPORATION (JP) 2016-11-29 US disclosed
US-20160011349-A1 INFRARED REFLECTING FILM AND LAMINATED FILM JNC PETROCHEMICAL CORPORATION (JP) 2016-01-14 US disclosed
US-20150108401-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICALLY ANISOTROPIC SUBSTANCE HAVING TWIST ALIGNMENT JNC CORPORATION (JP) 2015-04-23 US disclosed