SCHEMBL6552301

SCHEMBL6552301

CC1=CC(C)(C)Oc2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.38
PTGES O14684 1/20 0.37
NR3C1 P04150 1/20 0.36
AR P10275 1/20 0.36
AHR P35869 3/20 0.36
MALT1 Q9UDY8 1/20 0.36
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
MAOB P27338 2/20 0.32
S100A4 P26447 1/20 0.31
HTR2B P41595 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
BLM P54132 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL14862508 0.86 PGR (0.39) PGRNR3C1ARAHRMALT1
SCHEMBL2869021 0.79 KDM4E (0.49) MALT1HTR2CMAOBMAPT
SCHEMBL7723225 0.78 PTGES (0.35) PTGESAHRMALT1HTR2AHTR2C
SCHEMBL7732592 0.78 PTGES (0.35) PTGESAHRMALT1HTR2AHTR2C
SCHEMBL7731218 0.73 NPC1 (0.36) PTGESAHRMAOB
SCHEMBL6535545 0.73 ALDH1A1 (0.41) PGRLMNAMAPTBLM
SCHEMBL6280883 0.72 KDM4E (0.37) HTR2AHTR2CHTR2B
SCHEMBL10531200 0.72 MAOB (0.38) MAOBLMNAMAPTHTT
SCHEMBL7738975 0.71 SKP2 (0.44) HTR2AHTT
SCHEMBL7740686 0.70 KDM4E (0.44) PGRRARARARBRARGLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1388534-A2 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors Allergan, Inc. (US) 2004-02-11 EP disclosed
EP-1117628-B1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN INC (US) 2003-11-19 EP disclosed
US-6403638-B1 COMPOUND FOR USE IN TREATING SKIN DISEASES AND DISORDERS, AND FOR TREATING HYPERVITAMINOSIS A SYNDROME ALLERGAN SALES, INC. 2002-06-11 US disclosed
WO-2001070662-A2 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN , INC. (US) 2001-09-27 WO disclosed
EP-1117628-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS Allergan Sales, Inc. (US) 2001-07-25 EP disclosed
US-6147224-A 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors ALLERGAN SALES, INC. (US) 2000-11-14 US disclosed
WO-2000020370-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN SALES, INC. (US) 2000-04-13 WO disclosed