SCHEMBL8569807

SCHEMBL8569807

COc1ccc(OC)c(C(=O)CCCCCl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD11B1 P28845 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 4/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 4/20 0.48
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GLA P06280 1/20 0.47
RAB9A P51151 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
CAPN1 P07384 1/20 0.46

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
SCHEMBL8571284 0.88 RAB9A (0.58) KMT2AMEN1MAPTHTTLMNA
SCHEMBL8569833 0.87 HSD11B1 (0.48) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL7261534 0.87 PDE4B (0.60) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL8571105 0.85 HTR2A (0.55) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL14261447 0.85 GAA (0.54) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL7267945 0.85 KMT2A (0.53) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL7898046 0.85 GAA (0.54) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL10772675 0.85 GAA (0.54) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL7823697 0.85 PDE4B (0.62) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL7267209 0.84 MAPT (0.55) KMT2AMEN1HTR2AHTR2CHTR2B

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
US-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 WO disclosed