SCHEMBL9476015

SCHEMBL9476015

CC(=O)/C(=C/c1cccc(C)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.50
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL9476020 1.00 GLO1 (0.50) GLO1HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL7441737 0.91 NPC1 (0.49) GLO1HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL30938425 0.83 KDM4E (0.55) GLO1HTTALDH1A1MAPTGAA
SCHEMBL7551989 0.83 KDM4E (0.55) GLO1HTTALDH1A1MAPTGAA
SCHEMBL31634782 0.83 KDM4E (0.55) GLO1HTTALDH1A1MAPTGAA
SCHEMBL820380 0.82 AKR1C3 (0.66) HTTALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7824296 0.82 AKR1C3 (0.66) HTTALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL9476285 0.81 AKR1C3 (0.51) GLO1HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL9476279 0.81 AKR1C3 (0.51) GLO1HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL8440119 0.81 HTT (0.67) HTTALDH1A1MAPTSMN1; SMN2GAA

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
US-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
US-4728652-A VASODILATORS E. R. SQUIBB & SONS, INC. (US) 1988-03-01 US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed
EP-0202654-A2 5-Carboxy-1,4-dihydropyrimidine derivatives E.R. Squibb & Sons, Inc. (US) 1986-11-26 EP disclosed