SCHEMBL18545835

SCHEMBL18545835

CC(C)(C)Oc1ccc2ccc(O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
ESR1 P03372 10/20 0.48
KMT2A Q03164 9/20 0.48
MEN1 O00255 8/20 0.48
ESR2 Q92731 8/20 0.48
ATM Q13315 1/20 0.48
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABL1 P00519 2/20 0.41

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
SCHEMBL3825533 0.88 CYP1A2 (0.44) CYP1A2ESR1KMT2AMEN1ESR2
SCHEMBL25570534 0.84 ESR1 (0.44) CYP1A2ESR1KMT2AMEN1ESR2
SCHEMBL3820319 0.83 KIF11 (0.47) CYP1A2NPC1ABL1
SCHEMBL10825700 0.79 CYP2A6 (0.58) CYP1A2KMT2AMEN1MAPTTDP1
SCHEMBL216905 0.78 KMT2A (0.62) CYP1A2ESR1KMT2AMEN1ESR2
SCHEMBL31553173 0.78 KMT2A (0.62) CYP1A2ESR1KMT2AMEN1ESR2
SCHEMBL10380118 0.78 KMT2A (0.62) CYP1A2ESR1KMT2AMEN1ESR2
SCHEMBL29080814 0.78 CYP2A6 (0.50) CYP1A2KMT2AMEN1MAPTCYP3A4
SCHEMBL20356051 0.77 CYP1A2 (0.58) CYP1A2ESR1KMT2AMEN1ESR2
SCHEMBL12054411 0.77 CYP1A2 (0.58) CYP1A2ESR1KMT2AMEN1ESR2

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-9971247-B2 Pattern-forming method OSAKA UNIVERSITY (JP) 2018-05-15 US disclosed
US-20170052450-A1 PATTERN-FORMING METHOD OSAKA UNIVERSITY (JP) 2017-02-23 US disclosed