SCHEMBL7296270

SCHEMBL7296270

C=CCCCCCCCC(C)C[C]=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
USP2 O75604 4/20 0.41
CYP3A4 P08684 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.40
ABCC4 O15439 1/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
TRPA1 O75762 2/20 0.33
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL7290348 1.00 MAPT (0.41) MAPTALDH1A1USP2CYP3A4SMN1; SMN2
SCHEMBL7298284 0.98 USP2 (0.38) MAPTALDH1A1USP2CYP3A4SMN1; SMN2
SCHEMBL7292900 0.83 USP2 (0.43) MAPTALDH1A1USP2CYP3A4SMN1; SMN2
SCHEMBL4052642 0.81 TSHR (0.52) MAPTALDH1A1USP2CYP3A4SMN1; SMN2
SCHEMBL4813080 0.78 ALDH1A1 (0.49) MAPTALDH1A1USP2CYP3A4SMN1; SMN2
SCHEMBL7294643 0.78 TSHR (0.44) MAPTALDH1A1USP2CYP3A4SMN1; SMN2
SCHEMBL7287892 0.78 TSHR (0.44) MAPTALDH1A1USP2CYP3A4SMN1; SMN2
SCHEMBL7297234 0.77 USP2 (0.37) MAPTALDH1A1USP2CYP3A4SMN1; SMN2
SCHEMBL7353591 0.77 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL7353595 0.77 ALDH1A1 (0.33) MAPTALDH1A1

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 7 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
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed