SCHEMBL8778545

SCHEMBL8778545

[CH2]CCCCCCCOc1ccc(C)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49
RELA Q04206 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 2/20 0.46
ATM Q13315 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
GLA P06280 1/20 0.45
S1PR4 O95977 1/20 0.44
L3MBTL4 Q8NA19 1/20 0.44

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
SCHEMBL9011602 0.91 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1NPC1RAB9ANFKB1
SCHEMBL9011659 0.91 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1NPC1RAB9ANFKB1
SCHEMBL9011867 0.89 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1NPC1RAB9ANFKB1
SCHEMBL7314937 0.87 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1NPC1RAB9ANFKB1
SCHEMBL13308494 0.84 ESR1 (0.56) SMN1; SMN2L3MBTL1NPC1RAB9ANFKB1
SCHEMBL14382370 0.84 ESR1 (0.56) SMN1; SMN2L3MBTL1NPC1RAB9ANFKB1
SCHEMBL14015788 0.84 ESR1 (0.56) SMN1; SMN2L3MBTL1NPC1RAB9ANFKB1
SCHEMBL11956138 0.84 ESR1 (0.56) SMN1; SMN2L3MBTL1NPC1RAB9ANFKB1
SCHEMBL17484853 0.84 ESR1 (0.56) SMN1; SMN2L3MBTL1NPC1RAB9ANFKB1
SCHEMBL2713160 0.84 ESR1 (0.56) SMN1; SMN2L3MBTL1NPC1RAB9ANFKB1

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