SCHEMBL6943380

SCHEMBL6943380

Nc1ccc(C(O)CO)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CASP1 P29466 2/20 0.42
CYP3A4 P08684 3/20 0.40
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
ESR2 Q92731 1/20 0.38
PTPN1 P18031 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PDE10A Q9Y233 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35

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
SCHEMBL109440 0.84 CYP3A4 (0.43) TSHRCASP1CYP3A4KDM4EMAPT
SCHEMBL5181377 0.82 PYGL (0.39) TSHRCASP1CYP3A4KDM4EMAPT
Hydrochloric Acid SCHEMBL27940325 0.80 PYGL (0.38) TSHRCASP1CYP3A4KDM4EMAPT
Hydrochloric Acid SCHEMBL27813642 0.80 PYGL (0.38) TSHRCASP1CYP3A4KDM4EMAPT
SCHEMBL9660619 0.79 TYR (0.44)
SCHEMBL29358097 0.79 THRB (0.36) TSHRCASP1CYP3A4KDM4EMAPT
SCHEMBL111094 0.79 THRB (0.36) TSHRCASP1CYP3A4KDM4EMAPT
SCHEMBL6946033 0.78 THRB (0.35) TSHRCASP1CYP3A4MAPTALDH1A1
Hydrochloric Acid SCHEMBL19549198 0.78 MAPT (0.39) TSHRCASP1CYP3A4KDM4EMAPT
SCHEMBL6152512 0.75 CASP1 (0.50) TSHRCASP1CYP3A4KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226072-A1 Oxidation dye containing 4-amino-2-aminomethyl phenol Wella Aktiengesellschaft (DE) 1987-06-24 EP claimed
EP-2934685-A2 GENTLE DYEING METHOD Henkel AG&Co. KGAA (DE) 2015-10-28 EP disclosed
EP-2934472-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER Henkel AG & Co. KGaA (DE) 2015-10-28 EP disclosed
EP-2934684-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SPECIAL SILICONE AFTER-TREATMENT Henkel AG&Co. KGAA (DE) 2015-10-28 EP disclosed
WO-2014095182-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SPECIAL SILICONE AFTER-TREATMENT HENKEL AG & CO. KGAA (DE) 2014-06-26 WO disclosed
WO-2014095179-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER HENKEL AG & CO. KGAA (DE) 2014-06-26 WO disclosed
WO-2014095181-A2 GENTLE DYEING METHOD HENKEL AG & CO. KGAA (DE) 2014-06-26 WO disclosed
CN-101141998-A Ammonia-free oxidation dye for dyeing keratin fibers with atmospheric oxygen serving as the sole oxidizing agent HENKEL KGAA (DE) 2008-03-12 CN disclosed
CN-1216591-C Colorant for dyeing keratin fibers HENKEL KGAA (DE) 2005-08-31 CN disclosed
CN-1514714-A Indole/indoline based hybird dyes and indole/indoline based hybrid dye intermediate products �����ɷ� 2004-07-21 CN disclosed
EP-0999203-B1 Novel developer in oxidative hair dyeing CLAIROL INC (US) 2003-02-26 EP disclosed
CN-1306415-A Colorant for colouring keratin fibres HENKEL KGAA (DE) 2001-08-01 CN disclosed
US-6228130-B1 1-(2,5-DIAMINOPHENYL)ETHYLENE GLYCOL; WATER SOLUBLE; P-PHENYLENEDIAMINE REPLACEMENT BRISTOL-MYERS SQUIBB COMPANY 2001-05-08 US disclosed
EP-0999203-A1 Novel developer in oxidative hair dyeing Bristol-Myers Squibb Company (US) 2000-05-10 EP disclosed