SCHEMBL4911765

SCHEMBL4911765

C=CCC([SiH3])=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
AKR1C3 P42330 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PAM P19021 1/20 0.35
AKR1C1 Q04828 1/20 0.35
ESR1 P03372 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FBP1 P09467 3/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
KDM1A O60341 1/20 0.33
CYP2C19 P33261 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
SCHEMBL7219057 0.78 ALDH1A1 (0.44) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL433428 0.78 ALDH1A1 (0.44) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL7731176 0.75 FBP1 (0.41) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL27357828 0.75 ALDH1A1 (0.41) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL10533493 0.75 ALDH1A1 (0.41) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL627745 0.75 TSHR (0.45) ALDH1A1TSHRAKR1C3RECQLMEN1
SCHEMBL7696952 0.75 FBP1 (0.41) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL7945245 0.74 KDM1A (0.46) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL2850504 0.73 ALDH1A1 (0.39) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL7603630 0.73 MTNR1A (0.49) ALDH1A1TSHRAKR1C1ESR1MEN1

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
US-20080057236-A1 Heat-Shrinkable Laminated Film, Molded Product and Heat-Shrinkable Label Employing the Film, and Container MITSUBISHI PLASTICS, INC. (JP) 2008-03-06 US disclosed
EP-1810822-A1 HEAT SHRINKABLE LAMINATED FILM, MOLDED ARTICLE USING SUCH FILM, AND HEAT SHRINKABLE LABEL AND CONTAINER MITSUBISHI PLASTICS INC. (JP) 2007-07-25 EP disclosed
WO-2001046276-A1 METALLOCENE CATALYSTS HAVING MULTI-NUCLEAR CONSTRAINED GEOMETRY AND ETHYLENE/AROMATIC VINYL COMPOUND CO-POLYMERS PREPARED BY USING THE SAME SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 2001-06-28 WO disclosed
WO-2000053649-A1 STYRENIC GRAFT COPOLYMER AND METHOD OF PREPARING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2000-09-14 WO disclosed