SCHEMBL6323325

SCHEMBL6323325

CCc1c(Cc2ccc(O)c(C(C)(C)C)c2CC)ccc(O)c1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 4/20 0.37
ESR1 P03372 4/20 0.35
ESR2 Q92731 3/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 1/20 0.32
AMY1A P0DUB6 1/20 0.32
KLF10 Q13118 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 2/20 0.31
USP2 O75604 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 2/20 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
SCHEMBL29399700 0.79 ALDH1A1 (0.37) HSPA5ESR1ESR2CYP2D6ALOX15
SCHEMBL6561982 0.79 ALDH1A1 (0.37) HSPA5ESR1ESR2CYP2D6ALOX15
SCHEMBL6568828 0.78 ESR1 (0.38) ESR1ESR2ALOX15ALDH1A1HPGD
SCHEMBL2040206 0.78 GABRA1 (0.43) ESR1ESR2GABRA1GABRB2CYP2D6
SCHEMBL551395 0.77 ESR1 (0.39) HSPA5ESR1ESR2GABRA1GABRB2
SCHEMBL2712175 0.77 HSPA5 (0.36) HSPA5GABRA1GABRB2CYP2D6ALDH1A1
SCHEMBL2598231 0.76 ALDH1A1 (0.39) HSPA5ESR1ESR2CYP2D6ALOX15
SCHEMBL7008109 0.73 HSPA5 (0.49) HSPA5GABRA1GABRB2CYP2D6ALOX15
SCHEMBL1861164 0.73 ESR1 (0.39) ESR1ESR2GABRA1GABRB2CYP2D6
SCHEMBL9789808 0.72 ESR1 (0.38) ESR1ESR2GABRA1GABRB2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6914098-B2 Acrylic elastomer and its composition NIPPON MEKIRON, LIMITED (JP) 2005-07-05 US disclosed
EP-0905163-B1 Acrylic elastomer composition NIPPON MEKTRON KK (JP) 2004-10-27 EP disclosed
US-20040087729-A1 Acrylic elastomer and its composition MORIYAMA IWAO (JP) 2004-05-06 US disclosed
US-20040019154-A1 Acrylic elastomer and its composition MORIYAMA IWAO (JP) 2004-01-29 US disclosed
US-20010005742-A1 Acrylic elastomer and its composition NIPPON MEKTRON, LIMITED 2001-06-28 US disclosed
EP-1110980-A1 Acrylic elastomer and its composition Nippon Mektron, Limited (JP) 2001-06-27 EP disclosed
US-6015860-A POLYFUNCTIONAL (BLOCKED) ISOCYANATE, GUANIDINE, QUATERNARY AMMONIUM SALT, TERTIARY AMINE, AND TERTIARY PHOSPHINE VULCANIZATION ACCELERATOR; HEAT AND SCORCH RESISTANCE; RESILIENCE NIPPON MEKTRON, LIMITED (JP) 2000-01-18 US disclosed
EP-0905163-A1 Acrylic elastomer composition Nippon Mektron, Limited (JP) 1999-03-31 EP disclosed