SCHEMBL6688974

SCHEMBL6688974

C=CCOC(=O)C=C1CCCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
ALDH1A1 P00352 8/20 0.35
KMT2A Q03164 5/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 2/20 0.34
APP P05067 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 4/20 0.32
MEN1 O00255 2/20 0.31
GSTP1 P09211 1/20 0.31

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
SCHEMBL6688972 1.00 MAPT (0.40) MAPTCACNA1BAPBA1ALDH1A1KMT2A
SCHEMBL11223609 0.79 MAPT (0.41) MAPTCACNA1BAPBA1ALDH1A1KMT2A
SCHEMBL11388692 0.77 MAPT (0.40) MAPTCACNA1BAPBA1ALDH1A1KMT2A
SCHEMBL6282256 0.73 ALDH1A1 (0.42) MAPTALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL6282254 0.73 ALDH1A1 (0.42) MAPTALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL9503508 0.71 TSHR (0.43) MAPTCACNA1BAPBA1ALDH1A1KMT2A
SCHEMBL19031254 0.69 ALDH1A1 (0.36) MAPTCACNA1BAPBA1ALDH1A1KMT2A
SCHEMBL11727940 0.69 MAPT (0.36) MAPTCACNA1BAPBA1ALDH1A1SMN1; SMN2
SCHEMBL6284069 0.68 ALDH1A1 (0.43) MAPTALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL6284064 0.68 ALDH1A1 (0.43) MAPTALDH1A1KMT2ARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286981-B1 METHOD FOR THE PRODUCTION OF 2- COUMARONE AND SUBSTITUTED 2-COUMARONES DSM FINE CHEM AUSTRIA GMBH (AT) 2004-08-04 EP claimed