SCHEMBL3262676

SCHEMBL3262676

CC(C)(C)c1ccc(-c2c(O)c(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c(-c3ccc(O)cc3)c2-c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TYR P14679 2/20 0.44
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SENP1 Q9P0U3 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CYP3A4 P08684 1/20 0.36
AR P10275 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
ESRRG P62508 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NR1I2 O75469 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL28147029 0.84 LMNA (0.54) LMNATYRALDH1A1HSD17B10HPGD
SCHEMBL7658452 0.80 NPC1 (0.42) ALDH1A1CYP2C9KIF11NPC1PLA2G1B
SCHEMBL3262995 0.79 SENP1 (0.41) LMNATYRALDH1A1HSD17B10ALOX15
SCHEMBL11751449 0.77 LMNA (0.52) LMNATYRALDH1A1HSD17B10HPGD
SCHEMBL313521 0.75 ALDH1A1 (0.31) ALDH1A1HSD17B10HPGDALOX15TDP1
SCHEMBL25387140 0.74 ALDH1A1 (0.44) LMNATYRALDH1A1HSD17B10HPGD
SCHEMBL28257273 0.74 LMNA (0.54) LMNATYRALDH1A1HSD17B10HPGD
SCHEMBL228138 0.73 ALDH1A1 (0.53) LMNAALDH1A1HSD17B10HPGDALOX15
SCHEMBL30496142 0.73 KIF11 (0.43) LMNATYRALDH1A1HSD17B10HPGD
SCHEMBL202530 0.72 PTPN5 (0.33) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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-20100028576-A1 PROCESS FOR PRODUCING POLYESTER TORAY INDUSTRIES, INC. (JP) 2010-02-04 US disclosed
EP-2083035-A1 PROCESS FOR PRODUCTION OF POLYESTER Toray Industries, Inc. (JP) 2009-07-29 EP disclosed