SCHEMBL8778517

SCHEMBL8778517

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.49
BLM P54132 1/20 0.43
TP53 P04637 3/20 0.42
ALOX15 P16050 2/20 0.42
NR5A1 Q13285 1/20 0.42
TSHR P16473 2/20 0.41
LTA4H P09960 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL21388518 0.90 PLA2G2A (0.56) PLA2G2ABLMTP53ALOX15NR5A1
SCHEMBL17835021 0.88 PLA2G2A (0.59) PLA2G2ABLMTP53ALOX15NR5A1
SCHEMBL12550198 0.88 PLA2G2A (0.59) PLA2G2ABLMTP53ALOX15NR5A1
SCHEMBL6462571 0.86 TP53 (0.53) PLA2G2ABLMTP53ALOX15NR5A1
SCHEMBL8778527 0.85 AHR (0.50) PLA2G2ABLMNR5A1TSHRLTA4H
SCHEMBL8728856 0.84 TP53 (0.51) PLA2G2ABLMTP53ALOX15NR5A1
SCHEMBL1070543 0.84 TP53 (0.56) PLA2G2ABLMTP53ALOX15NR5A1
SCHEMBL14331832 0.84 PLA2G2A (0.48) PLA2G2ABLMTP53ALOX15NR5A1
SCHEMBL11038649 0.82 TP53 (0.54) PLA2G2ATP53ALOX15TSHRALDH1A1
SCHEMBL8956013 0.81 TP53 (0.54) PLA2G2ABLMTP53ALOX15NR5A1

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