SCHEMBL8043107

SCHEMBL8043107

C=C(CCOc1ccccc1)C(=O)OCCOc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.51
PKM P14618 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49
RELA Q04206 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PARP10 Q53GL7 1/20 0.47

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
Acrylic Acid SCHEMBL28230339 0.93 THRB (0.61) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7182348 0.90 RECQL (0.55) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL11294405 0.87 TDP1 (0.54) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL29182462 0.87 THRB (0.57) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL26130421 0.87 THRB (0.57) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL2133045 0.86 THRB (0.54) THRBRAB9ANPC1SMN1; SMN2TSHR
Methacrylic Acid SCHEMBL29217057 0.86 THRB (0.47) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL20211002 0.86 SMN1; SMN2 (0.48) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7135684 0.85 THRB (0.55) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL9840757 0.85 THRB (0.55) THRBRAB9ANPC1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6107361-A REACTING A SOLVENT-FREE HYDROXY FUNCTIONAL VINYL ADDITION COPOLYMER AND AN ISOCYANATE HAVING A FUNCTIONAL GROUP CAPABLE OF POLYMERIZATION IN PRESENCE OF ACTINIC RADIATON AND A HYDROXYFUNCTIONAL DILUENT DSM N.V. (NL) 2000-08-22 US disclosed
US-5847021-A Solvent-free, radiation-curable, optical glass fiber coating composition and solvent-free method for making a solvent-free, radiation-curable, optical glass fiber coating composition DSM N.V. (NL) 1998-12-08 US disclosed