SCHEMBL85756

SCHEMBL85756

C=CCCC/C=C/COC(=O)C=C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.45
ALDH1A1 P00352 6/20 0.45
CYP3A4 P08684 4/20 0.45
HPGD P15428 1/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ABCC4 O15439 1/20 0.35
APP P05067 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL4651809 0.90 MAPT (0.46) TSHRALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL4653141 0.90 MAPT (0.46) TSHRALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL4651805 0.90 MAPT (0.46) TSHRALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL4651813 0.90 MAPT (0.46) TSHRALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL4653142 0.90 MAPT (0.46) TSHRALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL355562 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL353661 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8812932 0.84 HCAR2 (0.44) ALDH1A1CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL8812925 0.84 HCAR2 (0.44) ALDH1A1CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL19846628 0.83 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53

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-8128746-B2 polymerization initiator, an acrylate monomer having a double bond with a carbon atom having an sp3 hybrid orbital at an alpha position, and a colorant; strength, adhesion to paper; UV radiation curing FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8128746-B2 polymerization initiator, an acrylate monomer having a double bond with a carbon atom having an sp3 hybrid orbital at an alpha position, and a colorant; strength, adhesion to paper; UV radiation curing FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20080108747-A1 Ink composition, ink jet recording method, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2008-05-08 US disclosed
US-20080108747-A1 Ink composition, ink jet recording method, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2008-05-08 US disclosed