SCHEMBL28844937

SCHEMBL28844937

C=CCc1ccc(C(=O)O)c(C)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HAAO P46952 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
RXRA P19793 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33

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
SCHEMBL27835976 0.84 CYP1A2 (0.37) KDM4EHSD17B10TSHRGAASMN1; SMN2
SCHEMBL8895803 0.83 KDM4E (0.43) KDM4EHSD17B10TSHRGAASMN1; SMN2
SCHEMBL16035544 0.83 GABRA1 (0.43) KDM4EHSD17B10TSHRGAASMN1; SMN2
SCHEMBL8816524 0.81 SELL (0.41) KDM4EHSD17B10ALDH1A1MAPK1CYP1A2
SCHEMBL243841 0.81 GAA (0.38) KDM4EHSD17B10TSHRGAASMN1; SMN2
SCHEMBL27417962 0.80 GABRP (0.41) TSHRSMN1; SMN2HAAOALDH1A1CYP1A2
SCHEMBL28127936 0.79 METAP2 (0.40) TSHRHAAOCYP1A2GABRA1GABRB2
SCHEMBL18915 0.78 GAA (0.38) KDM4EHSD17B10TSHRGAASMN1; SMN2
SCHEMBL7369721 0.78 MRGPRX4 (0.45) KDM4EHSD17B10TSHRSMN1; SMN2ALDH1A1
SCHEMBL27287111 0.77 GABRP (0.38) KDM4EHSD17B10TSHRHAAOALDH1A1

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
CN-103732606-B New cyclopentano [B] fluorenyl transition metal compound, the carbon monoxide-olefin polymeric comprising it and the method using its copolymer for preparing Alathon or ethene and alhpa olefin 沙特基础工业爱思开NEXLENE私人有限公司 2017-06-09 CN disclosed