SCHEMBL2133045

SCHEMBL2133045

C=C(CCC=O)C(=O)OCCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
TSHR P16473 1/20 0.46
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PARP10 Q53GL7 1/20 0.42
MMP1 P03956 1/20 0.41
MMP12 P39900 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL8043107 0.86 THRB (0.57) THRBRAB9ASMN1; SMN2NPC1TSHR
Acrylic Acid SCHEMBL28230339 0.83 THRB (0.61) THRBRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL29182462 0.80 THRB (0.57) THRBRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL26130421 0.80 THRB (0.57) THRBRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL9281879 0.80 ELANE (0.41) THRBALDH1A1KDM4EKMT2AHPGD
SCHEMBL7135684 0.79 THRB (0.55) THRBRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL9840755 0.79 THRB (0.55) THRBRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL28619594 0.79 TSHR (0.48) THRBRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL9840757 0.79 THRB (0.55) THRBRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL10494033 0.78 THRB (0.48) THRBRAB9ASMN1; SMN2NPC1TSHR

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-20120100369-A1 TRANSFER SHEET AND PROCESS FOR PRODUCING SAME DAIKIN INDUSTRIES, LTD. (JP) 2012-04-26 US disclosed