SCHEMBL7714815

SCHEMBL7714815

CCOC(=O)CCC=C(c1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.47
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
PTPN1 P18031 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.40
AKT1 P31749 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL14578224 0.82 TBXAS1 (0.64) TBXAS1CYP4F2CYP4A11SMN1; SMN2MEN1
SCHEMBL7714709 0.81 TBXAS1 (0.50) TBXAS1CYP4F2CYP4A11SMN1; SMN2MEN1
SCHEMBL7714707 0.81 TBXAS1 (0.50) TBXAS1CYP4F2CYP4A11SMN1; SMN2MEN1
SCHEMBL7714820 0.78 TBXAS1 (0.48) TBXAS1CYP4F2CYP4A11SMN1; SMN2MEN1
SCHEMBL20556929 0.74 ELANE (0.41) MEN1KMT2ANPC1TSHRAKT1
SCHEMBL20556926 0.74 ELANE (0.41) MEN1KMT2ANPC1TSHRAKT1
SCHEMBL20556925 0.74 ELANE (0.41) MEN1KMT2ANPC1TSHRAKT1
SCHEMBL27517126 0.73 MEN1 (0.54) TBXAS1CYP4F2CYP4A11SMN1; SMN2MEN1
Succinic Acid Diethyl Ester SCHEMBL28851670 0.73 SMN1; SMN2 (0.58) TBXAS1CYP4F2CYP4A11SMN1; SMN2MEN1
SCHEMBL21119502 0.72 KMT2A (0.44) SMN1; SMN2KMT2AL3MBTL1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed