SCHEMBL11040263

SCHEMBL11040263

CCN(C(=O)O)c1ccccc1Cc1ccccc1N(CC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN1 P18031 2/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL8751588 0.92 TSHR (0.52) TSHRALDH1A1GLALMNACYP3A4
SCHEMBL11037937 0.86 ALDH1A1 (0.47) TSHRALDH1A1GLAMEN1KMT2A
SCHEMBL6700583 0.86 TSHR (0.46) TSHRALDH1A1GLALMNACYP3A4
SCHEMBL29840012 0.81 ALDH1A1 (0.40) TSHRALDH1A1GLALMNACYP3A4
SCHEMBL30957339 0.80 NPC1 (0.51) ALDH1A1TP53
SCHEMBL5881190 0.79 TSHR (0.50) TSHRALDH1A1GLALMNACYP3A4
SCHEMBL7653267 0.79 CYP3A4 (0.63) TSHRALDH1A1GLALMNACYP3A4
SCHEMBL17078095 0.78 TSHR (0.48) TSHRALDH1A1GLALMNACYP3A4
SCHEMBL5512527 0.78 ALDH1A1 (0.48) TSHRALDH1A1GLALMNACYP3A4
SCHEMBL11064072 0.78 TP53 (0.54) TSHRALDH1A1GLALMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0027330-A1 Process for the production of methylenedicarbanilates and the compounds thus obtained MITSUBISHI KASEI CORPORATION (JP) 1981-04-22 EP claimed
EP-0027330-B1 PROCESS FOR THE PRODUCTION OF METHYLENEDICARBANILATES AND THE COMPOUNDS THUS OBTAINED MITSUBISHI KASEI CORPORATION (JP) 1984-12-12 EP disclosed
US-4476317-A HETEROPOLYMOLYBDIC ACID OR HETEROPOLYTUNGSTIC ACID MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1984-10-09 US disclosed
EP-0027330-A1 Process for the production of methylenedicarbanilates and the compounds thus obtained MITSUBISHI KASEI CORPORATION (JP) 1981-04-22 EP disclosed