SCHEMBL298393

SCHEMBL298393

CCc1cc(C(C)(C)c2cccc(C(C)(C)c3ccc(O)c(CC)c3)c2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.62
ESR2 Q92731 5/20 0.62
KLF10 Q13118 1/20 0.62
CACNA1B Q00975 1/20 0.50
RORC P51449 1/20 0.49
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
CYP2D6 P10635 2/20 0.45
BACE1 P56817 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL30234175 0.93 ESR1 (0.71) ESR1ESR2KLF10CACNA1BRORC
SCHEMBL122862 0.93 ESR1 (0.71) ESR1ESR2KLF10CACNA1BRORC
SCHEMBL29395018 0.93 ESR1 (0.71) ESR1ESR2KLF10CACNA1BRORC
SCHEMBL20762234 0.92 ESR1 (0.57) ESR1ESR2KLF10CACNA1BRORC
SCHEMBL1021957 0.91 ESR1 (0.61) ESR1ESR2KLF10CACNA1BRORC
SCHEMBL7804723 0.86 KLF10 (0.59) ESR1ESR2KLF10CACNA1BRORC
SCHEMBL13066154 0.86 ESR1 (0.71) ESR1ESR2KLF10CACNA1BRORC
SCHEMBL20717760 0.86 ESR1 (0.62) ESR1ESR2KLF10CACNA1BRORC
SCHEMBL20717777 0.84 ESR1 (0.62) ESR1ESR2KLF10CACNA1BRORC
SCHEMBL5026246 0.84 GABRA1 (0.57) ESR1ESR2KLF10CACNA1BRORC

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-6248859-B1 CONTAINING SPIROBIINDANE UNITS; OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY 2001-06-19 US claimed
EP-2428528-A1 Electrical fixture made from DMBPC polycarbonate homopolymer and copolymer SABIC Innovative Plastics IP B.V. (NL) 2012-03-14 EP disclosed
US-6248859-B1 CONTAINING SPIROBIINDANE UNITS; OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY 2001-06-19 US disclosed
WO-2001002462-A1 POLYCARBONATES SUITABLE FOR USE IN OPTICAL ARTICLES GENERAL ELECTRIC COMPANY (US) 2001-01-11 WO disclosed