SCHEMBL6608917

SCHEMBL6608917

CCN(CC)CCOc1cc(NC(=O)c2ccco2)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
MCHR1 Q99705 1/20 0.60
SMN1; SMN2 Q16637 6/20 0.59
RAB9A P51151 3/20 0.59
TP53 P04637 3/20 0.59
KDM4E B2RXH2 3/20 0.59
NPC1 O15118 2/20 0.59
ESR1 P03372 1/20 0.59
ESR2 Q92731 1/20 0.59
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 8/20 0.55
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL6602387 0.93 TSHR (0.59) TSHRMCHR1SMN1; SMN2RAB9ATP53
SCHEMBL6602432 0.89 TSHR (0.63) TSHRMCHR1SMN1; SMN2RAB9ATP53
SCHEMBL6602378 0.87 MCHR1 (0.64) TSHRMCHR1SMN1; SMN2RAB9ATP53
SCHEMBL6926140 0.80 MCHR1 (0.72) MCHR1SMN1; SMN2RAB9ATP53KDM4E
SCHEMBL6604698 0.79 KMT2A (0.56) MCHR1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL6925692 0.79 MCHR1 (0.92) MCHR1
SCHEMBL6923947 0.79 MCHR1 (0.66) TSHRMCHR1ALDH1A1LMNAPOLB
SCHEMBL6603549 0.79 KMT2A (0.69) MCHR1SMN1; SMN2RAB9ATP53KDM4E
SCHEMBL6925370 0.79 MCHR1 (0.71) MCHR1SMN1; SMN2RAB9ATP53NPC1
SCHEMBL6923988 0.79 MCHR1 (0.71) MCHR1SMN1; SMN2RAB9ATP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed