SCHEMBL7351901

SCHEMBL7351901

CCCC/C=C/CCCCC(C)C[O]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.43
TRPV1 Q8NER1 2/20 0.43
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TERT O14746 3/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 2/20 0.38
HSD17B10 Q99714 2/20 0.38
FABP4 P15090 2/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7351903 1.00 FAAH (0.43) FAAHTRPV1F7F3FFAR1
SCHEMBL7293585 0.94 FAAH (0.40) FAAHTRPV1F7F3MAPT
SCHEMBL7293588 0.94 FAAH (0.40) FAAHTRPV1F7F3MAPT
SCHEMBL7348602 0.85 FAAH (0.36) FAAHTRPV1
SCHEMBL7348595 0.85 FAAH (0.36) FAAHTRPV1
SCHEMBL498065 0.82
SCHEMBL7291372 0.81 ALDH1A1 (0.33) FFAR1FFAR4MAPTLMNA
SCHEMBL7295451 0.81 ALDH1A1 (0.38) TRPV1F7F3FFAR1FFAR4
SCHEMBL7295459 0.81 ALDH1A1 (0.38) TRPV1F7F3FFAR1FFAR4
SCHEMBL7291377 0.81 ALDH1A1 (0.33) FFAR1FFAR4MAPTLMNA

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 6 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-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed