SCHEMBL298394

SCHEMBL298394

CCc1cc(C(C)Cc2cccc(CC(C)c3ccc(O)c(CC)c3)c2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ESR1 P03372 5/20 0.42
ESR2 Q92731 3/20 0.42
ADRB2 P07550 4/20 0.42
ALOX15 P16050 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
USP2 O75604 2/20 0.41
BACE1 P56817 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
ALOX12 P18054 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL7804725 0.88 ALOX5 (0.42) GABRA1GABRB2HDAC4HDAC2HDAC8
SCHEMBL3175987 0.83 KDM4E (0.52) ESR1ESR2ADRB2ALOX15ALDH1A1
SCHEMBL5176699 0.82 GABRA1 (0.47) GABRA1GABRB2ESR1ESR2ADRB2
SCHEMBL697803 0.81 ESR1 (0.44) GABRA1GABRB2HDAC4HDAC2HDAC8
SCHEMBL682798 0.80 GAA (0.62) HDAC4HDAC2HDAC8ESR1ESR2
SCHEMBL144607 0.76 ESR1 (0.71) ESR1ESR2ADRB2ALOX15CYP3A4
SCHEMBL920814 0.76 ESR1 (0.50) GABRA1GABRB2ESR1ESR2ADRB2
SCHEMBL5167176 0.76 RNASEH1 (0.55) HDAC4HDAC2HDAC8ESR1ESR2
SCHEMBL1758476 0.75 ESR1 (0.46) GABRA1GABRB2HDAC4HDAC2HDAC8
SCHEMBL3663532 0.74 FFAR1 (0.47) HDAC4HDAC2HDAC8ESR1ESR2

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