SCHEMBL6950431

SCHEMBL6950431

CCCCCCCCCCCCCCC(=O)C(C)c1cc(OC)c(Cl)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRPV1 Q8NER1 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PAK1 Q13153 1/20 0.42
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 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
SCHEMBL6983914 0.76 TRPV1 (0.46) L3MBTL1ALDH1A1TSHRLMNANPSR1
SCHEMBL5318813 0.70 ALOX15 (0.50) L3MBTL1TSHRLMNAMEN1KMT2A
SCHEMBL11168309 0.70 ALOX15 (0.50) L3MBTL1TSHRLMNAMEN1KMT2A
SCHEMBL7335421 0.70 ALOX15 (0.50) L3MBTL1TSHRLMNAMEN1KMT2A
SCHEMBL7596532 0.68 CNR1 (0.48) ALDH1A1
SCHEMBL6703841 0.68 ZDHHC7 (0.46) L3MBTL1ALDH1A1TSHRLMNANPSR1
SCHEMBL5655091 0.67 KDM4E (0.55) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL5653132 0.67 KDM4E (0.55) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL7599990 0.66 P2RX7 (0.48) ALDH1A1
SCHEMBL5316393 0.66 ALDH1A1 (0.51) L3MBTL1ALDH1A1TSHRLMNAMEN1

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-0984960-B1 N-TRIAZOLYL-2-INDOLECARBOXAMIDES AND THEIR USE AS CCK-A AGONISTS SANOFI SYNTHELABO (FR) 2003-02-05 EP disclosed
EP-0984960-A1 N-TRIAZOLYL-2-INDOLECARBOXAMIDES AND THEIR USE AS CCK-A AGONISTS SANOFI-SYNTHELABO (FR) 2000-03-15 EP disclosed
WO-1998051686-A1 N-TRIAZOLYL-2-INDOLECARBOXAMIDES AND THEIR USE AS CCK-A AGONISTS SANOFI-SYNTHELABO (FR) 1998-11-19 WO disclosed