SCHEMBL7928015

SCHEMBL7928015

CC1CC(C(CC(C)(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC(=O)CC(=O)O)C2CC(C)N(C)C(C)(C)C2)CC(C)(C)N1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.34
LMNA P02545 1/20 0.33
HMGCR P04035 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
BLM P54132 1/20 0.31
ATM Q13315 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
MGAM O43451 1/20 0.30

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
SCHEMBL7928011 0.96 CYP2D6 (0.33) CYP2D6LMNAHMGCRMEN1KMT2A
SCHEMBL697947 0.88 ALDH1A1 (0.33) CYP2D6LMNAHMGCRMEN1KMT2A
SCHEMBL697945 0.84 ALDH1A1 (0.35) CYP2D6LMNAHMGCRMEN1KMT2A
SCHEMBL15023930 0.78 GAA (0.32) CYP2D6LMNAMEN1KMT2AUSP2
SCHEMBL697944 0.74 GAA (0.34) CYP2D6LMNAHMGCRMEN1KMT2A
SCHEMBL224189 0.71 GAA (0.32) CYP2D6LMNAHMGCRMEN1KMT2A
SCHEMBL28484382 0.71 GAA (0.32) CYP2D6LMNAMEN1KMT2AUSP2
SCHEMBL6446600 0.71 KMT2A (0.46) CYP2D6LMNAHMGCRMEN1KMT2A
SCHEMBL8771932 0.71 GAA (0.33) KMT2AGAAPKMHTT
SCHEMBL28427217 0.69 KDM4E (0.35) ALDH1A1MAPTGAAPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329465-B1 TRANSPARENCY, MECHANICAL STRENGTH AND MOLDABILITY MITSUI CHEMICAL INC (JP) 2001-12-11 US disclosed
EP-1086963-A1 USE OF ETHYLENE/$g(a)-OLEFIN COPOLYMER AND USE OF ETHYLENE COPOLYMER COMPOSITION Mitsui Chemicals, Inc. (JP) 2001-03-28 EP disclosed
EP-0982362-A1 ETHYLENE COPOLYMER COMPOSITION AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2000-03-01 EP disclosed
EP-0879855-A1 THERMOPLASTIC RESIN COMPOSITION AND FILM MADE FROM THE COMPOSITION Mitsui Chemicals, Inc. (JP) 1998-11-25 EP disclosed