SCHEMBL8778575

SCHEMBL8778575

[CH2]CCCOc1cc(C#N)cc(OCCCCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR5A1 Q13285 1/20 0.42
LTA4H P09960 2/20 0.41
BLM P54132 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL7926658 0.90 PLA2G2A (0.59) PLA2G2AALDH1A1HPGDKDM4EHTT
SCHEMBL8955406 0.83 PLA2G2A (0.53) PLA2G2AALDH1A1HPGDKDM4EHTT
SCHEMBL8778517 0.81 PLA2G2A (0.49) PLA2G2AALDH1A1HTTNR5A1LTA4H
SCHEMBL8778527 0.81 AHR (0.50) PLA2G2AALDH1A1NR5A1LTA4HBLM
SCHEMBL9697417 0.81 NR5A1 (0.56) PLA2G2AALDH1A1HPGDKDM4EHTT
SCHEMBL593989 0.81 PLA2G2A (0.50) PLA2G2AALDH1A1HPGDKDM4EHTT
SCHEMBL16951475 0.80 KDM4E (0.43) PLA2G2AALDH1A1HPGDKDM4EHTT
SCHEMBL16957654 0.80 KDM4E (0.43) PLA2G2AALDH1A1HPGDKDM4EHTT
SCHEMBL5226337 0.78 PLA2G2A (0.82) PLA2G2AALDH1A1HPGDBLMTP53
SCHEMBL16951372 0.78 KDM4E (0.40) PLA2G2AALDH1A1HPGDKDM4EHTT

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-0574355-B1 Phosphinyloxy propanaminium inner salt derivatives CIBA GEIGY AG (CH) 1997-08-13 EP claimed
EP-0574355-A1 Phosphinyloxy propanaminium inner salt derivatives SANDOZ LTD. (CH) 1993-12-15 EP claimed