SCHEMBL6698972

SCHEMBL6698972

COC(=O)Cn1c(C(=O)Nc2nc(-c3cc(OC)c(Cl)cc3OC)c(CCC3CCCCC3)s2)cc2cc(C)cc(C)c21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.34
PI4KB Q9UBF8 2/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PLTP P55058 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
ACHE P22303 2/20 0.31
HTR4 Q13639 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
RORC P51449 2/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL29403637 0.94 TRPV4 (0.36) TRPV4PI4KBMAPTPLTPLMNA
SCHEMBL1008694 0.94 TRPV4 (0.36) TRPV4PI4KBMAPTPLTPLMNA
SCHEMBL6700555 0.94 TRPV4 (0.35) TRPV4PI4KBMAPTALDH1A1HPGD
SCHEMBL7688594 0.93 TRPV4 (0.34) TRPV4PI4KBMAPTPLTPLMNA
SCHEMBL6703807 0.93 PLTP (0.39) TRPV4PI4KBMAPTALDH1A1PLTP
SCHEMBL226080 0.93 TRPV4 (0.32) TRPV4PI4KBPLTPTP53
Water SCHEMBL7685985 0.93 TRPV4 (0.33) TRPV4PI4KBMAPTPLTPLMNA
Trifluoroacetic Acid SCHEMBL226079 0.91 TRPV4 (0.34) TRPV4PI4KBMAPTALDH1A1PLTP
Diethylamine SCHEMBL7031731 0.91 TRPV4 (0.34) TRPV4PI4KBMAPTALDH1A1PLTP
Trifluoroacetic Acid SCHEMBL30480661 0.91 TRPV4 (0.34) TRPV4PI4KBMAPTALDH1A1PLTP

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
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed