SCHEMBL7100581

SCHEMBL7100581

Nc1ccc(C(=O)O)c(CCO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 5/20 0.53
MAPT P10636 4/20 0.53
PTPN1 P18031 3/20 0.53
CYP3A4 P08684 2/20 0.53
GAA P10253 1/20 0.53
ESR2 Q92731 1/20 0.53
TDP1 Q9NUW8 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
THRB P10828 2/20 0.48
RECQL P46063 2/20 0.48
POLB P06746 2/20 0.48
MCL1 Q07820 2/20 0.48
HPGD P15428 2/20 0.48
CYP2C19 P33261 2/20 0.48
USP2 O75604 1/20 0.48
PKM P14618 1/20 0.48
APEX1 P27695 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL28062236 0.90 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTPTPN1CYP3A4
SCHEMBL7148264 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTPTPN1CYP3A4
SCHEMBL19678704 0.88 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTPTPN1CYP3A4
SCHEMBL29632107 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTPTPN1CYP3A4
SCHEMBL308882 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTPTPN1CYP3A4
SCHEMBL343331 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTPTPN1CYP3A4
SCHEMBL29632227 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTPTPN1CYP3A4
SCHEMBL28431089 0.85 MAPT (0.40) ALDH1A1KDM4EMAPTPTPN1CYP3A4
SCHEMBL30833194 0.85 MAPT (0.53) ALDH1A1KDM4EMAPTPTPN1CYP3A4
SCHEMBL8768830 0.85 KDM4E (0.57) ALDH1A1KDM4EMAPTPTPN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100366233-C Hair conditioning compositions and application in hair dye composition thereof PROCTER & GAMBLE (US) 2008-02-06 CN disclosed
CN-1209094-C Hair coloring compositions and methods PROCTER & GAMBLE (US) 2005-07-06 CN disclosed
CN-1479606-A Hair conditioning composition and use thereof in hair dyeing compositions 宝洁公司 2004-03-03 CN disclosed
EP-1341502-A2 HAIR CONDITIONING COMPOSITIONS AND THEIR USE IN HAIR COLOURING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2003-09-10 EP disclosed
CN-1427711-A Hair colouring and conditioning composition PROCTER & GAMBLE (US) 2003-07-02 CN disclosed
CN-1427710-A Composition for colouring and conditioning hair PROCTER & GAMBLE (US) 2003-07-02 CN disclosed
CN-1411361-A Hair coloring compositions and methods PROCTER & GAMBLE (US) 2003-04-16 CN disclosed
WO-2002047632-A2 HAIR CONDITIONING COMPOSITIONS COMPRISING AMINOFUNCTIONA POLYSILOXANES THE PROCTER & GAMBLE COMPANY (US) 2002-06-20 WO disclosed
US-4104368-A STEARYLDIMETHYLBENZYLAMMONIUM P-AMINOBENZOATE MILLMASTER ONYX CORPORATION (US) 1978-08-01 US disclosed