SCHEMBL12736330

SCHEMBL12736330

CCc1ccc(OC(=O)c2ccc(-c3ccc(COC)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
THRB P10828 2/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL28641990 0.91 KMT2A (0.50) RXRARXRBMAPTSMN1; SMN2KMT2A
SCHEMBL12154284 0.91 TP53 (0.59) TP53RXRARXRBMAPTSMN1; SMN2
SCHEMBL11550359 0.91 TP53 (0.59) TP53RXRARXRBMAPTSMN1; SMN2
SCHEMBL26832413 0.91 TP53 (0.59) TP53RXRARXRBMAPTSMN1; SMN2
SCHEMBL12736340 0.90 MAPT (0.59) TP53RXRARXRBMAPTSMN1; SMN2
SCHEMBL12736310 0.90 MAPT (0.56) TP53MAPTSMN1; SMN2THRBKMT2A
SCHEMBL24581822 0.88 SMN1; SMN2 (0.57) TP53MAPTSMN1; SMN2THRBKMT2A
SCHEMBL11548163 0.88 SMN1; SMN2 (0.57) TP53MAPTSMN1; SMN2THRBKMT2A
SCHEMBL14539496 0.88 TP53 (0.54) TP53RXRARXRBMAPTSMN1; SMN2
SCHEMBL24581691 0.88 MAPT (0.58) TP53MAPTSMN1; SMN2THRBKMT2A

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-7923078-B2 Light-modulating liquid-crystal element ADEKA CORPORATION (JP) 2011-04-12 US disclosed
US-20090279043-A1 LIGHT-MODULATING LIQUID-CRYSTAL ELEMENT ADEKA CORPORATION (JP) 2009-11-12 US disclosed