SCHEMBL8475586

SCHEMBL8475586

[CH2]CCC(OC(C)=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HPGD P15428 1/20 0.40
MMP12 P39900 1/20 0.39
TSHR P16473 1/20 0.38
CYP19A1 P11511 2/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL29377527 0.84 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL7947907 0.84 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL29265547 0.84 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL27533084 0.83 UTS2R (0.38) PABPC1APOBEC3AAPOBEC3GALDH1A1HPGD
SCHEMBL11643170 0.83 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL8772074 0.83 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL28346760 0.83 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL8772060 0.83 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL10615626 0.83 ALDH1A1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL28346759 0.83 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4

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-6004954-A TREATING GRAFT-VERSUS-HOST DISEASE AND AUTOIMMUNE DISEASES; ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-21 US disclosed