SCHEMBL585075

SCHEMBL585075

C/C([K])=C\c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
AKR1C3 P42330 1/20 0.54
FBP1 P09467 1/20 0.48
KDM1A O60341 1/20 0.45
RECQL P46063 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AKR1C1 Q04828 1/20 0.41
ESR1 P03372 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL585077 1.00 ALDH1A1 (0.54) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL60657 0.78 ALDH1A1 (0.58) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL8557597 0.78 ALDH1A1 (0.58) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL6433811 0.78 AKR1C3 (0.73) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL598776 0.78 ALDH1A1 (0.58) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL23458002 0.78 AKR1C3 (0.73) ALDH1A1TSHRAKR1C3FBP1KDM1A
Benzene SCHEMBL27597826 0.78 ALDH1A1 (0.58) ALDH1A1TSHRAKR1C3FBP1KDM1A
Ammonia Solution, Strong SCHEMBL28447731 0.76 ALDH1A1 (0.56) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL11801120 0.76 ALDH1A1 (0.56) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL27855636 0.76 ALDH1A1 (0.56) ALDH1A1TSHRAKR1C3FBP1KDM1A

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-8119749-B2 Method of taking (meth)acrylic ester polymer out of liquid reaction mixture KURARAY CO., LTD. (JP) 2012-02-21 US disclosed
EP-1916262-B1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE KURARAY CO (JP) 2012-02-15 EP disclosed
US-20090118450-A1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE KURARAY CO., LTD. (JP) 2009-05-07 US disclosed
EP-1916262-A1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE Kuraray Co., Ltd. (JP) 2008-04-30 EP disclosed