SCHEMBL7295281

SCHEMBL7295281

[CH2]CCCCC(C)CCCCC=C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCC4 O15439 1/20 0.31
TRPA1 O75762 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
SCHEMBL7297623 0.88 TSHR (0.40) TSHRALDH1A1LMNACYP3A4MEN1
SCHEMBL4052642 0.88 TSHR (0.52) TSHRALDH1A1LMNACYP3A4MAPT
SCHEMBL1454721 0.84 TSHR (0.42) TSHRALDH1A1LMNACYP3A4MAPT
SCHEMBL2118930 0.84 TSHR (0.35) TSHRALDH1A1LMNACYP3A4MEN1
SCHEMBL2119049 0.84 TSHR (0.40) TSHRALDH1A1LMNACYP3A4MEN1
SCHEMBL5985207 0.83 LMNA (0.53) LMNACYP3A4MEN1ALOX15KMT2A
SCHEMBL23673031 0.82 LMNA (0.56) TSHRALDH1A1LMNACYP3A4MAPT
SCHEMBL5986408 0.82 LMNA (0.39) ALDH1A1LMNAMAPT
SCHEMBL5985153 0.82 LMNA (0.39) ALDH1A1LMNAMAPT
SCHEMBL5984787 0.82 LMNA (0.39) ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
US-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0255134-B1 CARBOSTYRIL DERIVATIVES AND SALTS THEREOF, PROCESS FOR PREPARING THEM, AND CARDIOTONIC COMPOSITION CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
US-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 EP disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 EP disclosed