SCHEMBL31297142

SCHEMBL31297142

C=CCC=C(C)C(=O)O.C=Cc1ccccc1C=C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.37
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
APEX1 P27695 6/20 0.34
LMNA P02545 1/20 0.34
AKT1 P31749 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
Styrene SCHEMBL3228973 0.86 AKR1C3 (0.52) AKR1C3CYP2C9KDM4EHTTALDH1A1
SCHEMBL7261213 0.83 AKR1C3 (0.41) AKR1C3CYP2C9KDM4EHTTALDH1A1
Styrene SCHEMBL7636729 0.83 AKR1C3 (0.49) AKR1C3CYP2C9KDM4EHTTALDH1A1
SCHEMBL18829 0.83
SCHEMBL18827 0.83
SCHEMBL4865262 0.82 AKR1C3 (0.48) AKR1C3CYP2C9KDM4EHTTALDH1A1
SCHEMBL7747003 0.82 AKR1C3 (0.48) AKR1C3CYP2C9KDM4EHTTALDH1A1
Ammonia Solution, Strong SCHEMBL1913737 0.81 AKR1C3 (0.35) AKR1C3CYP2C9ALDH1A1
SCHEMBL15411130 0.81 GRIK2 (0.37) AKR1C3CYP2C9ALDH1A1
Ammonia Solution, Strong SCHEMBL4656365 0.81 AKR1C3 (0.35) AKR1C3CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3577176-B1 LOW TEMPERATURE CURABLE ADHESIVE COMPOSITIONS SIMPSON STRONG TIE CO INC (US) 2024-10-23 EP claimed