SCHEMBL8750600

SCHEMBL8750600

CCCCCCCCCc1ccc(COCc2ccc(CCCCCCCCC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
ESR1 P03372 2/20 0.67
ADRA2A P08913 2/20 0.67
ADORA3 P0DMS8 2/20 0.67
TACR2 P21452 2/20 0.67
SLC6A2 P23975 2/20 0.67
SLC6A4 P31645 2/20 0.67
SLC6A3 Q01959 2/20 0.67
LMNA P02545 2/20 0.67
CYP3A4 P08684 2/20 0.67
HSD17B10 Q99714 2/20 0.67
PTGS2 P35354 2/20 0.67
KDM4E B2RXH2 1/20 0.67
SHBG P04278 1/20 0.67
TP53 P04637 1/20 0.67
HSPD1 P10809 1/20 0.67
ADRB3 P13945 1/20 0.67
HTR2C P28335 1/20 0.67
HSPE1 P61604 1/20 0.67
HIF1A Q16665 1/20 0.67

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
SCHEMBL10463150 1.00 ALDH1A1 (0.67) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL9600015 1.00 ALDH1A1 (0.67) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL10463001 1.00 ALDH1A1 (0.67) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL9598141 0.98 ALDH1A1 (0.63) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL8897670 0.91 ALDH1A1 (0.54) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL23849704 0.86 ESR1 (0.77) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL4037557 0.86 ESR1 (0.77) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL6684861 0.86 ESR1 (0.77) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL2511615 0.86 ESR1 (0.77) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL6681490 0.86 ESR1 (0.77) ALDH1A1ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 EP disclosed