SCHEMBL8678646

SCHEMBL8678646

CC(C)(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1.CC(C)(c1cccc(C(=O)O)c1)c1cccc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.55
RXRB P28702 4/20 0.55
SRD5A2 P31213 2/20 0.54
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
NR1H4 Q96RI1 1/20 0.49
ACHE P22303 2/20 0.47
RXRG P48443 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL1634947 1.00 RXRA (0.55) RXRARXRBSRD5A2ESR1ESR2
SCHEMBL1296121 1.00 RXRA (0.55) RXRARXRBSRD5A2ESR1ESR2
SCHEMBL1635891 0.96 ESR1 (0.55) RXRARXRBSRD5A2ESR1ESR2
SCHEMBL30295452 0.93 ESR1 (0.60) RXRARXRBSRD5A2ESR1ESR2
Isophthalic Acid SCHEMBL10494662 0.93 RXRA (0.54) RXRARXRBSRD5A2NR1H4RXRG
SCHEMBL1041916 0.93 RXRA (0.56) RXRARXRBSRD5A2ESR1ESR2
SCHEMBL29466781 0.93 RXRA (0.56) RXRARXRBSRD5A2ESR1ESR2
SCHEMBL9003758 0.90 ESR1 (0.68) RXRARXRBSRD5A2ESR1ESR2
SCHEMBL9003801 0.88 KIF11 (0.48) RXRARXRBSRD5A2ESR1ESR2
SCHEMBL5955919 0.87 ALDH1A1 (0.59) RXRARXRBSRD5A2ESR1ESR2

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-5716998-A PARTICLES COMPRISING POLYPROPYLENE RESIN AND DIAMIDE COMPOUND AS BETA-FORM NUCLEATING AGENT KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-02-10 US disclosed
EP-0790275-A1 PREFOAMED PARTICLES OF POLYPROPYLENE RESIN AND PROCESS FOR PRODUCING THE SAME KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-08-20 EP disclosed