SCHEMBL3628199

SCHEMBL3628199

Nc1ccc(C(=O)Oc2cc(N)ccc2C(=O)O)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
KDM4E B2RXH2 8/20 0.66
MAPT P10636 5/20 0.66
CYP3A4 P08684 3/20 0.66
GAA P10253 2/20 0.66
ESR2 Q92731 2/20 0.66
PTPN1 P18031 1/20 0.66
KDR P35968 2/20 0.65
LMNA P02545 2/20 0.65
TP53 P04637 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
CHRM1 P11229 1/20 0.65
TBXA2R P21731 1/20 0.65
SLC6A2 P23975 1/20 0.65
PDE4A P27815 1/20 0.65
ADRA1A P35348 1/20 0.65
SLC6A3 Q01959 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
KMT2A Q03164 3/20 0.54

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
SCHEMBL28188089 0.98 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL2352963 0.89 KDM4E (0.69) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL831732 0.89 KDM4E (0.64) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL3628204 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL29015053 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTCYP3A4GAA
Aminosalicylic Acid SCHEMBL30337954 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP3A4GAA
Aminosalicylic Acid SCHEMBL29450213 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP3A4GAA
Aminosalicylic Acid SCHEMBL2262 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP3A4GAA
Aminosalicylic Acid SCHEMBL3333393 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL9949353 0.80 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTCYP3A4GAA

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-2150243-A2 COMPOSITIONS AND METHODS FOR ENHANCING ACTIVE AGENT ABSORPTION Nexus Pharma, Inc. (US) 2010-02-10 EP disclosed
WO-2008144690-A2 COMPOSITIONS AND METHODS FOR ENHANCING ACTIVE AGENT ABSORPTION NEXUS PHARMA, INC. (US) 2008-11-27 WO disclosed
US-7183269-B2 Synergistic compositions for the selective control of tumor tissue KREUTZ WERNER 2007-02-27 US disclosed
US-20040147493-A1 Synergistic compositions for the selective control of tumor tissue KREUTZ WERNER 2004-07-29 US disclosed
US-6727235-B2 Synergistic mixture comprising benzoic acid derivatives for use as anticarcinogenic agents, antitumor agents KREUTZ WERNER (DE) 2004-04-27 US disclosed
US-20030166621-A1 Synergistic mixture comprising benzoic acid derivatives for use as anticarcinogenic agents, antitumor agents KREUTZ WERNER (DE) 2003-09-04 US disclosed
US-6525038-B1 Synergistic composition of 5-(2,4-difluorophenyl) salicylic acid and 2-hydroxy-4-aminobenzoic acid KREUTZ WERNER (DE) 2003-02-25 US disclosed