SCHEMBL8778514

SCHEMBL8778514

[CH2]CCCCCCCOc1cccc(C)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
HTR1A P08908 2/20 0.46
NPC1 O15118 1/20 0.43

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
SCHEMBL11103978 0.87 HTR1B (0.62) HTR1BSMN1; SMN2LMNAMAPK1TSHR
SCHEMBL2711055 0.84 HTR1B (0.59) HTR1BSMN1; SMN2LMNAMAPK1TSHR
SCHEMBL5929458 0.82 HTR1B (0.71) HTR1BSMN1; SMN2LMNAMAPK1TSHR
SCHEMBL8956316 0.82 HTR1B (0.57) HTR1BSMN1; SMN2LMNAMAPK1TSHR
SCHEMBL14956917 0.81 HTR1B (0.61) HTR1BSMN1; SMN2LMNAMAPK1TSHR
SCHEMBL28306902 0.80 HTR1B (0.59) HTR1BSMN1; SMN2LMNAMAPK1TSHR
SCHEMBL4743007 0.80 HTR1B (0.59) HTR1BSMN1; SMN2LMNAMAPK1TSHR
SCHEMBL4740590 0.79 HTR1B (0.62) HTR1BSMN1; SMN2LMNAMAPK1TSHR
SCHEMBL293595 0.79 HTR1B (0.56) HTR1BSMN1; SMN2LMNAMAPK1TSHR
SCHEMBL8778574 0.79 MCHR1 (0.45) HTR1BSMN1; SMN2LMNAMAPK1TSHR

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