SCHEMBL8775719

SCHEMBL8775719

Cc1ccc(O)c(-c2c(C(C)(C)C)cccc2C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 4/20 0.48
TSHR P16473 1/20 0.48
CA2 P00918 2/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
TRPA1 O75762 1/20 0.42
ALOX15 P16050 8/20 0.41
HSD17B10 Q99714 4/20 0.41
LMNA P02545 3/20 0.41
TYR P14679 2/20 0.41
NR1I2 O75469 1/20 0.41
CYP2C9 P11712 1/20 0.41
MIF P14174 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 6/20 0.41
HPGD P15428 6/20 0.41
MEN1 O00255 3/20 0.41

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
SCHEMBL7519142 0.84 ALDH1A1 (0.57) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL2169751 0.81 GABRA1 (0.42) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL7809388 0.79 TDP1 (0.47) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL14363376 0.79 TRPA1 (0.50) ALDH1A1TDP1TSHRTRPA1ALOX15
SCHEMBL28366203 0.78 TRPA1 (0.47) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL23222817 0.77 TDP1 (0.52) ALDH1A1TDP1TRPA1ALOX15HSD17B10
SCHEMBL7714454 0.77 ALOX15 (0.48) ALDH1A1TDP1TSHRTRPA1ALOX15
SCHEMBL7918767 0.77 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL30704467 0.76 TDP1 (0.47) ALDH1A1TDP1TSHRGABRA1GABRB2
SCHEMBL28494201 0.75 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCA2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60135491-A None JP disclosed
CN-109071761-B Aqueous polyurethane dispersions 湛新奥地利有限公司 2021-08-24 CN disclosed
CN-1053198-C Emulsion capable of increasing thermal stability of polyvinyl chloride and with intensified stopping function ZHANG YONGBIN (CN) 2000-06-07 CN disclosed
EP-0806447-A2 Process for the preparation of mixtures of low molecular compounds with polymers BASF AKTIENGESELLSCHAFT (DE) 1997-11-12 EP disclosed
CN-1148602-A Emulsion capable of increasing thermal stability of polyvinyl chloride and with intensified stopping function ZHANG YONGBIN (CN) 1997-04-30 CN disclosed
JP-S60135491-A REFRIGERATOR OIL COMPOSITION MITSUBISHI HEAVY IND LTD 1985-07-18 JP disclosed