SCHEMBL19334604

SCHEMBL19334604

CCCc1cc(C2(c3ccc(O)c(CC)c3)c3ccccc3-c3ccccc32)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.56
ESR2 Q92731 5/20 0.56
ALOX5 P09917 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRK1 P41145 1/20 0.38
BACE1 P56817 1/20 0.38
POLB P06746 2/20 0.37
PDK2 Q15119 2/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL383400 0.96 ESR1 (0.60) ESR1ESR2ALOX5MEN1KMT2A
SCHEMBL29842572 0.96 ESR1 (0.60) ESR1ESR2ALOX5MEN1KMT2A
SCHEMBL383087 0.93 ESR1 (0.64) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL29587240 0.93 ESR1 (0.64) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL19843860 0.90 ESR1 (0.55) ESR1ESR2ALOX5MEN1KMT2A
SCHEMBL22580542 0.87 ESR1 (0.57) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL383048 0.87 ESR1 (0.57) ESR1ESR2ALOX5MEN1KMT2A
SCHEMBL29842359 0.87 ESR1 (0.57) ESR1ESR2ALOX5MEN1KMT2A
SCHEMBL13592688 0.86 ESR1 (0.78) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL5487840 0.86 ESR1 (0.56) ESR1ESR2ALOX5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9760030-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-09-12 US disclosed