SCHEMBL21596574

SCHEMBL21596574

C=C(COCCOc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.45
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PARP10 Q53GL7 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN7 P35236 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
KCNA3 P22001 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL21596583 0.84 PKM (0.49) MAPK1PKMMAPTRAB9ANPC1
SCHEMBL28655525 0.84 HDAC1 (0.49) MAPK1KDM4ETDP1PKMMAPT
SCHEMBL21596582 0.77 HDAC1 (0.45) HDAC1HDAC8
SCHEMBL21596589 0.77 HDAC1 (0.45) HDAC1HDAC8
SCHEMBL21596592 0.77 HDAC1 (0.45) HDAC1HDAC8
SCHEMBL31316461 0.73 ALDH1A1 (0.48) PKMMAPTRAB9APARP10ALDH1A1
SCHEMBL2177291 0.71 KDM4E (0.77) MAPK1KDM4ETDP1PKMMAPT
SCHEMBL31316459 0.71 ALDH1A1 (0.47) MAPK1KDM4ETDP1PKMMAPT
SCHEMBL28475162 0.71 CASR (0.44) KDM4ENPC1SMN1; SMN2HDAC1HDAC8
SCHEMBL9589188 0.70 PTPN1 (0.59) MAPK1KDM4EMAPTRAB9ANPC1

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
EP-3746420-A1 ENOL ETHER PROPERFUME Firmenich SA (CH) 2020-12-09 EP disclosed
WO-2019243501-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2019-12-26 WO disclosed