SCHEMBL4387797

SCHEMBL4387797

CC(C)(C)c1cc(OCC(O)CO)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
VCAM1 P19320 2/20 0.49
TSHR P16473 4/20 0.47
MAPK1 P28482 3/20 0.47
AR P10275 1/20 0.47
ALOX15 P16050 5/20 0.43
MAPT P10636 2/20 0.42
HPN P05981 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL8959202 0.91 CA2 (0.55) CA2CA1VCAM1TSHRMAPK1
Propionic Acid SCHEMBL5663789 0.90 VCAM1 (0.48) CA2CA1VCAM1TSHRMAPK1
Butylated Hydroxytoluene SCHEMBL3413756 0.81 AR (0.49) CA2TSHRMAPK1ARMAPT
SCHEMBL17635963 0.79 CA2 (0.53) CA2CA1VCAM1TSHRMAPK1
SCHEMBL17733082 0.78 CA2 (0.61) CA2CA1VCAM1TSHRMAPK1
SCHEMBL5663782 0.78 VCAM1 (0.43) CA2CA1VCAM1TSHRMAPK1
SCHEMBL9700178 0.78 CA2 (0.52) CA2CA1VCAM1TSHRMAPK1
SCHEMBL26326238 0.78 TSHR (0.63) TSHRMAPK1ARMAPTPOLB
SCHEMBL9935223 0.77 TSHR (0.51) TSHRMAPK1ARPOLBSMN1; SMN2
SCHEMBL15677160 0.77 TSHR (0.56) TSHRMAPK1ARMAPTALDH1A1

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
EP-1862506-B1 ANTISTATIC COMPOSITION ADEKA CORP (JP) 2014-04-30 EP disclosed
US-7629401-B2 Antistatic composition ADEKA CORPORATION (JP) 2009-12-08 US disclosed
US-20080176979-A1 Antistatic Composition ADEKA CORPORATION (JP) 2008-07-24 US disclosed
EP-1862506-A1 ANTISTATIC COMPOSITION Adeka Corporation (JP) 2007-12-05 EP disclosed
US-5212316-A Respiratory system disorders BOEHRINGER MANNHEIM ITALIA (IT) 1993-05-18 US disclosed
EP-0303227-B1 ETHERS AND THIOETHERS HAVING THERAPEUTICAL ACTIVITY, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-02-05 EP disclosed
US-4968706-A MUCOLYTIC, ANTITUSSIVE, BRONCHODILATOR, ANTIINFLAMMATORY BOEHRINGER MANNHEIN ITALIA, S.P.A. (IT) 1990-11-06 US disclosed
EP-0303227-A1 Ethers and thioethers having therapeutical activity, their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1989-02-15 EP disclosed