SCHEMBL9378564

SCHEMBL9378564

CC(C)(NCCCc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
ESRRG P62508 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 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
SCHEMBL8101722 0.91 CALM1 (0.54) SIGMAR1MEN1KMT2AALDH1A1NPC1
SCHEMBL8091780 0.89 SIGMAR1 (0.53) SIGMAR1POLBMEN1KMT2ACYP3A4
SCHEMBL9752778 0.84 MEN1 (0.46) SIGMAR1POLBMEN1KMT2ACYP3A4
SCHEMBL8093024 0.84 SIGMAR1 (0.51) SIGMAR1POLBMEN1KMT2ANPC1
SCHEMBL8099093 0.84 SIGMAR1 (0.52) SIGMAR1POLBMEN1KMT2ANPC1
SCHEMBL8096264 0.84 SIGMAR1 (0.51) SIGMAR1POLBMEN1KMT2ARAB9A
SCHEMBL8092957 0.83 L3MBTL1 (0.56) SIGMAR1POLBMEN1KMT2A
SCHEMBL8100063 0.82 BCHE (0.58) SIGMAR1MEN1KMT2A
SCHEMBL9752836 0.82 DRD2 (0.45) SIGMAR1POLBMEN1KMT2APLAAT3
SCHEMBL9372954 0.82 SIGMAR1 (0.53) SIGMAR1POLBMEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO claimed