SCHEMBL8570941

SCHEMBL8570941

O=C(CCCCCBr)c1cc(Cl)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
HTT P42858 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 2/20 0.51
KCNH2 Q12809 2/20 0.51
PLA2G1B P04054 1/20 0.51
XBP1 P17861 1/20 0.51
ALOX12 P18054 1/20 0.51

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
SCHEMBL8569762 1.00 LMNA (0.54) LMNAHTTMEN1KMT2AMAPT
SCHEMBL9115251 0.98 LMNA (0.55) LMNAHTTMEN1KMT2AMAPT
SCHEMBL11804367 0.88 CA1 (0.62) LMNAHTTMEN1KMT2AMAPT
SCHEMBL11295651 0.84 HTT (0.56) LMNAHTTMEN1KMT2AMAPT
SCHEMBL1587515 0.84 LMNA (0.47) LMNAHTTMEN1KMT2AMAPT
SCHEMBL7390637 0.83 ALDH1A1 (0.57) HTTMEN1KMT2AMAPTHPGD
SCHEMBL29236091 0.82 LMNA (0.46) LMNAHTTMEN1KMT2AMAPT
SCHEMBL8574123 0.82 CA1 (0.55) LMNAHTTMEN1KMT2AMAPT
SCHEMBL6076034 0.82 CA1 (0.59) LMNAHTTMEN1KMT2AMAPT
SCHEMBL9115906 0.81 NPC1 (0.47) LMNAHTTMEN1KMT2AMAPT

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
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
WO-1995025731-A1 NOVEL 3-(φ-(4-BENZOYLPIPERIDINO)ALKYL)-4H-BENZOPYRAN-4-ONES, PREPARATION AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1995-09-28 WO disclosed