SCHEMBL8154470

SCHEMBL8154470

Cc1cc(C2(c3cc(C)c(O)c(C)c3)NC(=O)c3ccccc32)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 4/20 0.43
POLB P06746 4/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NPSR1 Q6W5P4 4/20 0.40
XBP1 P17861 1/20 0.40
ITGA4 P13612 1/20 0.39
ALOX12 P18054 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37

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
SCHEMBL8143530 0.85 ESR1 (0.57) L3MBTL1ALDH1A1MAPTPOLBLMNA
SCHEMBL8151667 0.82 DHFR (0.46) ALDH1A1MAPTITGA4CA12CA1
SCHEMBL8150743 0.82 AKR1C1 (0.55) ALDH1A1MAPTITGA4CA12CA1
SCHEMBL8156432 0.81 HDAC4 (0.41) ALDH1A1MAPTTDP1ITGA4CA12
SCHEMBL20244137 0.78 ESR1 (0.39) L3MBTL1ALDH1A1MAPTPOLBLMNA
SCHEMBL8150327 0.78 USP8 (0.36) ALDH1A1MAPTSMN1; SMN2ESR2ITGA4
SCHEMBL29508189 0.78 KMT2A (0.50) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL10049655 0.78 KMT2A (0.50) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL10049648 0.78 ITGA4 (0.43) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL11990851 0.77 ITGA4 (0.48) ALDH1A1MAPTPOLBLMNANPSR1

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-6051294-A RETORT-STERILIZABLE PACKAGING MATERIALS EXHIBITING HIGH BARRIER TO OXYGEN THE DOW CHEMICAL COMPANY (US) 2000-04-18 US disclosed
US-5814373-A PACKAGING OF OXYGEN SENSITIVE MATERIALS INSIDE A CONTAINER COMPRISING A THERMOPLASTIC POLYMER DOW CHEMICAL COMPANY (US) 1998-09-29 US disclosed