SCHEMBL8750353

SCHEMBL8750353

COC(C)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.43
▸ APP P05067 1/20 0.42
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ HAO1 Q9UJM8 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL14228671 0.84 ESR2 (0.52) NAAAALDH1A1HRH3
SCHEMBL11213083 0.80 HPGD (0.50) NAAAALDH1A1APPMAPTSMN1; SMN2
SCHEMBL1789213 0.80 NAAA (0.61) NAAAALDH1A1APPMAPTSMN1; SMN2
SCHEMBL4363946 0.79 ALDH1A1 (0.46) NAAAALDH1A1APPMAPTOPRM1
SCHEMBL1789216 0.78 NAAA (0.60) NAAAALDH1A1APPMAPTSMN1; SMN2
SCHEMBL6560368 0.77 ALDH1A1 (0.45) NAAAALDH1A1APPMAPTSMN1; SMN2
SCHEMBL17556987 0.77 ALDH1A1 (0.53) NAAAALDH1A1APPSMN1; SMN2OPRM1
SCHEMBL8545377 0.77 ALDH1A1 (0.45) NAAAALDH1A1APPMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11738212 0.77 ALDH1A1 (0.49) NAAAALDH1A1APPMAPTOPRM1
SCHEMBL10370708 0.77 ALDH1A1 (0.53) NAAAALDH1A1APPSMN1; SMN2OPRM1

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
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 — — WO disclosed
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
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