SCHEMBL7299554

SCHEMBL7299554

CCC/C=C/C/C=C/[C]=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
ALDH1A1 P00352 7/20 0.35
PPARG P37231 6/20 0.35
PPARA Q07869 5/20 0.35
FFAR1 O14842 4/20 0.35
PPARD Q03181 4/20 0.35
F7 P08709 4/20 0.35
F3 P13726 4/20 0.35
MAPT P10636 3/20 0.35
CYP19A1 P11511 3/20 0.35
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
BLM P54132 2/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.35
FABP4 P15090 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
NR4A2 P43354 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL7299558 1.00 TRPV1 (0.39) TRPV1ALDH1A1PPARGPPARAFFAR1
SCHEMBL7299397 0.86 TRPV1 (0.50) TRPV1ALDH1A1PPARGPPARAFFAR1
SCHEMBL7299407 0.86 TRPV1 (0.50) TRPV1ALDH1A1PPARGPPARAFFAR1
SCHEMBL7349561 0.85 ALDH1A1 (0.35) TRPV1ALDH1A1PPARGCNR1FAAH
SCHEMBL7285615 0.85 ALDH1A1 (0.35) TRPV1ALDH1A1PPARGCNR1FAAH
SCHEMBL233667 0.85
SCHEMBL233666 0.85
SCHEMBL7352387 0.85 TRPV1 (0.59) TRPV1ALDH1A1PPARGPPARAFFAR1
SCHEMBL7289616 0.85 TRPV1 (0.59) TRPV1ALDH1A1PPARGPPARAFFAR1
SCHEMBL7288127 0.83 TRPV1 (0.57) TRPV1ALDH1A1PPARGPPARAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed