SCHEMBL8778552

SCHEMBL8778552

[CH2]CCCCCCCOc1ccc(C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.56
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
APP P05067 1/20 0.45
MITF O75030 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL21633733 0.98 HRH3 (0.54) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL11360661 0.92 HRH3 (0.54) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL22248703 0.90 HRH3 (0.65) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL22248702 0.88 HRH3 (0.62) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL214703 0.86 KDM4E (0.54) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL20234326 0.84 HRH3 (0.61) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL23266158 0.83 NR5A1 (0.61) HRH3KDM4ERAB9ANPC1LMNA
SCHEMBL12372939 0.83 HRH3 (0.58) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL12762363 0.83 NR5A1 (0.61) HRH3KDM4ERAB9ANPC1LMNA
SCHEMBL13216578 0.83 NR5A1 (0.61) HRH3KDM4ERAB9ANPC1LMNA

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