SCHEMBL6359904

SCHEMBL6359904

C=C(C)COC(=O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
EPHX1 P07099 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MDM2 Q00987 1/20 0.40
HPGD P15428 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
SCHEMBL6351424 0.98 ALDH1A1 (0.44) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL10325880 0.90 MAPT (0.41) ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL27437194 0.84 ALDH1A1 (0.49) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL27437192 0.82 ALDH1A1 (0.46) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL28598650 0.81 GABRP (0.41) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL6866876 0.81 EPHX1 (0.41) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL3289307 0.81 ATM (0.35) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL17830222 0.79 MAPT (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL3780197 0.79 SMN1; SMN2 (0.33) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL27916524 0.78 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165201-A1 Epoxidizing an alpha-halohydrin intermediate from a halide substitution-deesterification of an alpha -hydroxy ester derivative obtained by the coupling reaction of a phenol and a glycidyl ester BORIACK CLINTON J (US) 2005-07-28 US disclosed
US-20030149219-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom BORIACK CLINTON J (US) 2003-08-07 US disclosed
US-6534621-B2 Epoxidizing an alpha-halohydrin intermediate produced from an in situ halide substitution-deesterification of an alpha-hydroxy ester derivative DOW GLOBAL TECHNOLOGIES INC. 2003-03-18 US disclosed