SCHEMBL11325178

SCHEMBL11325178

COc1ccc(Cl)cc1C(=O)N(CCCC(=O)O)c1ccc(OC)c(-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.45
MME P08473 1/20 0.42
MMEL1 Q495T6 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SLC6A9 P48067 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 2/20 0.40
SLC9A1 P19634 1/20 0.40
LMNA P02545 1/20 0.40
LPAR1 Q92633 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL11330151 0.90 MCHR1 (0.47) TSHRKMT2APTGDR2MMEMMEL1
SCHEMBL11330108 0.87 TSHR (0.56) TSHRMEN1KMT2APTGDR2MME
SCHEMBL11300194 0.84 TSHR (0.55) TSHRMEN1KMT2APTGDR2MME
SCHEMBL11324670 0.82 TSHR (0.56) TSHRMEN1KMT2AALDH1A1NPSR1
SCHEMBL11320533 0.79 TSHR (0.54) TSHRMEN1KMT2AALDH1A1ATM
SCHEMBL11328985 0.77 MEN1 (0.57) TSHRMEN1KMT2APTGDR2ALDH1A1
SCHEMBL11436747 0.76 KCNH2 (0.50) TSHRGAAMAPTLMNAMCHR1
SCHEMBL11319126 0.76 TSHR (0.53) TSHRMEN1KMT2APTGDR2ALDH1A1
SCHEMBL11315622 0.75 MEN1 (0.53) TSHRMEN1KMT2AALDH1A1NPSR1
SCHEMBL11332478 0.74 LPAR1 (0.44) TSHRMMEMMEL1SLC6A9LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243678-A GASTROINTESTINAL DISORDERS, LIVER DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-01-06 US disclosed