SCHEMBL7905022

SCHEMBL7905022

C=C(c1ccc(C(=O)OC)cc1)c1cc(C(C)(C)OCCCCCCCCCCN)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
GAA P10253 3/20 0.34
LMNA P02545 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
NOTUM Q6P988 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
EGFR P00533 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 3/20 0.32
CASP1 P29466 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32

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
SCHEMBL7898871 0.88 MAPK1 (0.41) MAPTGAALMNANOTUMRXRA
SCHEMBL8199065 0.78 TDP1 (0.42) MAPTGAALMNACA1CA2
SCHEMBL7905069 0.75 BRD4 (0.39) MAPTCA1CA2EGFRTDP1
SCHEMBL6552089 0.67 MAPT (0.72) MAPTLOXL2GAACA1CA2
SCHEMBL4204731 0.67 MAPT (0.72) MAPTLOXL2GAACA1CA2
SCHEMBL8708489 0.67 MAPT (0.72) MAPTLOXL2GAACA1CA2
SCHEMBL8199784 0.66 ALDH1A1 (0.40) MAPTLOXL2GAALMNACA1
SCHEMBL28875093 0.65 LOXL2 (0.58) MAPTLOXL2CA1CA2TDP1
Hydrochloric Acid SCHEMBL444912 0.64 MAPT (0.72) MAPTLOXL2GAACA1CA2
SCHEMBL21451492 0.63 MAPT (0.51) MAPTLOXL2GAALMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083888-A1 MULTIBINDING AGENTS THAT MODULATE PPARgamma AND RXR RECEPTORS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-1999063983-A9 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE INC (US) 2000-03-23 WO disclosed
WO-1999063983-A1 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed