SCHEMBL5528072

SCHEMBL5528072

CCC(=C(CC)c1ccccc1CC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.46
ESR2 Q92731 3/20 0.46
CYP19A1 P11511 1/20 0.46
PTGS2 P35354 5/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PGR P06401 2/20 0.42
NR1I2 O75469 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NR3C1 P04150 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
FYN P06241 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42

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
SCHEMBL1286085 0.87 CES2 (0.41) ESR1ESR2CYP19A1PTGS2CES2
SCHEMBL3314631 0.81 ESR1 (0.61) ESR1ESR2CYP19A1PTGS2CES2
SCHEMBL8596721 0.81 ESR1 (0.61) ESR1ESR2CYP19A1PTGS2CES2
SCHEMBL10586913 0.80 GABRA1 (0.46) ALDH1A1TP53MAPTTSHRCLCN2
SCHEMBL345323 0.79 CLCN2 (0.42) CES2CES1ALDH1A1CYP2C9ALOX15
SCHEMBL6697442 0.79 PTGS2 (0.40) ESR1ESR2PTGS2CES2CES1
SCHEMBL1283643 0.78 CES2 (0.44) PTGS2CES2CES1LMNACYP3A4
SCHEMBL28419366 0.78 CLCN2 (0.41) CES2CES1ALDH1A1LMNAALOX15
SCHEMBL29881368 0.78 MAPT (0.47) ESR1ESR2CYP19A1PTGS2CES2
SCHEMBL8860998 0.77 GABRA1 (0.39) NR1I2MEN1ALDH1A1LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007025185-A2 REACTIVE DYE AND PROCESS OF PRINTING SAME SAWGRASS TECHNOLOGIES, INC. (US) 2007-03-01 WO disclosed
US-6780913-B2 DISPERSES IN A RESIN, MARKEDLY IMPROVES SMOOTHNESS, LUSTER AND APPEARANCE OF THE SURFACES OF RESIN BLENDED THEREWITH, AND ELECTRIC PROPERTIES OF THE RESIN, AS FLAME-RETARDING AGENT OR A SMOKE-SUPPRESSING AGENT MIZUSAWA INDUSTRIAL CHEMICALS, LTD. (JP) 2004-08-24 US disclosed
US-20030030042-A1 Zinc borate, and production method and use thereof MIZUSAWA INDUSTRIAL CHEMICALS, LTD. (JP) 2003-02-13 US disclosed
CN-1364142-A Zinc borate, method for the production thereof and use thereof MITSUSAWA IND CHEMICALS LTD (JP) 2002-08-14 CN disclosed
EP-1205439-A1 ZINC BORATE, AND PRODUCTION METHOD AND USE THEREOF Mizusawa Industrial Chemicals Ltd. (JP) 2002-05-15 EP disclosed