SCHEMBL3839178

SCHEMBL3839178

C=CCCC=CCCCCC=C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.40
ABCC4 O15439 1/20 0.40
TRPA1 O75762 3/20 0.39
LPAR3 Q9UBY5 2/20 0.34
LMNA P02545 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34
USP2 O75604 2/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 1/20 0.32
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7212445 0.97 TSHR (0.52) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL25182471 0.97 TSHR (0.52) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL25181833 0.97 TSHR (0.52) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL25185207 0.97 TSHR (0.52) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL9307383 0.93 ALDH1A1 (0.45) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL9307385 0.93 ALDH1A1 (0.45) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL5436307 0.93 TSHR (0.53) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL5436303 0.93 TSHR (0.53) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL25172379 0.90 TSHR (0.50) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL25185226 0.90 TSHR (0.58) TSHRALDH1A1MAPTABCC4TRPA1

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
WO-2023085299-A1 CATIONIC LIPID 武田薬品工業株式会社 2023-05-19 WO disclosed
US-20090099315-A1 Polyethylene Composition Suitable for the Preparation of Films and Process for Preparing the Same BASELL POLYOLEFINE GMBH (DE) 2009-04-16 US disclosed
EP-1753794-B9 POLYETHYLENE AND CATALYST COMPOSITION FOR ITS PREPARATION BASELL POLYOLEFINE GMBH (DE) 2009-03-04 EP disclosed
EP-1753794-B1 POLYETHYLENE AND CATALYST COMPOSITION FOR ITS PREPARATION BASELL POLYOLEFINE GMBH (DE) 2008-06-04 EP disclosed