SCHEMBL21596583

SCHEMBL21596583

C=C(COCCOc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.47
KCNA3 P22001 1/20 0.47
PARP10 Q53GL7 1/20 0.46
RAB9A P51151 2/20 0.44
THRB P10828 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41
PRSS3 P35030 1/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL21596574 0.84 MAPK1 (0.50) PKMALDH1A1RECQLKCNA3PARP10
SCHEMBL9310259 0.83 ALOX15 (0.54) PKMALDH1A1RECQLKCNA3RAB9A
SCHEMBL3752087 0.80 MAOA (0.50) ALDH1A1HPGDSMN1; SMN2MAPTF2
SCHEMBL31316461 0.80 ALDH1A1 (0.48) PKMALDH1A1RECQLKCNA3PARP10
SCHEMBL331105 0.80 SMN1; SMN2 (0.43) ALDH1A1RECQLRAB9ASMN1; SMN2GAA
SCHEMBL2357301 0.79 KCNA3 (0.52) PKMALDH1A1RECQLKCNA3PARP10
SCHEMBL13295231 0.79 MAOA (0.42) ALDH1A1RECQLSMN1; SMN2GAAMAPK1
SCHEMBL28703837 0.79 SMN1; SMN2 (0.46) HPGDSMN1; SMN2LMNA
SCHEMBL31316459 0.79 ALDH1A1 (0.47) PKMALDH1A1RECQLKCNA3PARP10
SCHEMBL28693221 0.79 SMN1; SMN2 (0.46) HPGDSMN1; SMN2LMNA

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