SCHEMBL7789402

SCHEMBL7789402

C=CC(C)OCCOC1CC(C)CCC1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP19A1 P11511 2/20 0.38
P2RX4 Q99571 1/20 0.38
NTSR1 P30989 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPA1 O75762 2/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
EPHX1 P07099 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL8070812 0.84 ALDH1A1 (0.75) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL29655278 0.81 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL18241830 0.81 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL7793171 0.81 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL6353084 0.81 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL21683367 0.80 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL28140415 0.80 ALDH1A1 (0.69) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL1617624 0.79 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL7789400 0.79 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL7793167 0.79 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G

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
EP-0875496-B1 Acrylic or methacrylic acid derivatives and polymers obtained therefrom WAKO PURE CHEM IND LTD (JP) 2001-11-07 EP disclosed
EP-0875789-A1 Resist composition and its use for forming pattern WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1998-11-04 EP disclosed
EP-0875496-A1 Acrylic or methacrylic acid derivatives and polymers obtained therefrom WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1998-11-04 EP disclosed