SCHEMBL7220790

SCHEMBL7220790

C=C(Cc1ccc(C(=O)OCC)o1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ALOX12 P18054 1/20 0.47
RECQL P46063 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TLR2 O60603 1/20 0.47
NSD2 O96028 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MPI P34949 1/20 0.47

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
SCHEMBL7219697 0.77 RXRA (0.74) RXRARXRGRXRBRARARARB
SCHEMBL7219694 0.77 RXRA (0.74) RXRARXRGRXRBRARARARB
SCHEMBL6890269 0.75 RXRA (0.70) MEN1KMT2ARECQLRXRARXRG
SCHEMBL28518784 0.75 RXRA (0.70) MEN1KMT2ARECQLRXRARXRG
SCHEMBL8320253 0.72 RXRA (0.58) MEN1KMT2ARECQLRXRARXRG
Diethylamine SCHEMBL28582419 0.70 RXRA (0.62) MEN1KMT2ARECQLRXRARXRG
SCHEMBL9551743 0.70 RARA (0.74) MEN1KMT2ARECQLRXRARXRG
SCHEMBL5834348 0.70 GNRHR (0.68) GNRHRFPR1GPR183GPR119
Diethylamine SCHEMBL28614252 0.70 RXRA (0.61) MEN1KMT2ARECQLRXRARXRG
SCHEMBL6619819 0.69 ALDH1A1 (0.63) ALDH1A1MAPTLMNAKDM4EMEN1

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-6627652-B1 Treatment of diseases or conditions of the type which are normally treated with retinoid-like compounds is disclosed, with pharmaceutical compositions containing an active compound which is a selective agonist of the RXR retinoid ALLERGAN, INC. 2003-09-30 US disclosed
US-5455265-A For mammals; skin disorders, cancer, inflammatory disease, cardiovascular diorders, autoimmune diseases and others ALLERGAN, INC. (US) 1995-10-03 US disclosed