SCHEMBL10690073

SCHEMBL10690073

C=C(C)C(=O)OCCC.C=C(C)C(=O)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.56
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.47
THRB P10828 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.42
FAAH O00519 1/20 0.38

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
SCHEMBL5574680 0.88 TSHR (0.67) ELANETSHRLMNAMAPTALDH1A1
SCHEMBL28175588 0.88 TSHR (0.67) ELANETSHRLMNAMAPTALDH1A1
SCHEMBL8640083 0.88 TSHR (0.67) ELANETSHRLMNAMAPTALDH1A1
SCHEMBL4410918 0.88 TSHR (0.67) ELANETSHRLMNAMAPTALDH1A1
SCHEMBL29089241 0.88 ELANE (0.56) ELANETSHRLMNAMAPTALDH1A1
Propane SCHEMBL6908233 0.87 ELANE (0.67) ELANEMAPTALDH1A1KMT2AHPGD
Hydroxyl Radical SCHEMBL28262036 0.87 ELANE (0.71) ELANEMAPTALDH1A1KMT2AHPGD
Phenetole SCHEMBL27680105 0.86 TDP1 (0.52) TSHRLMNAMAPTALDH1A1THRB
SCHEMBL28364952 0.86 LMNA (0.49) ELANELMNAMAPTALDH1A1KMT2A
Alcohol SCHEMBL22362243 0.85 ELANE (0.65) ELANETSHRMAPTALDH1A1KMT2A

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
US-4794145-A REACTING WITH ALKYL SUBSTITUTED STYRENE, THEN MONOMER THE DOW CHEMICAL COMPANY (US) 1988-12-27 US disclosed