SCHEMBL8401696

SCHEMBL8401696

CCC(=O)Oc1ccc(O)c(C2(C)CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.48
RARG P13631 3/20 0.48
ACHE P22303 2/20 0.46
RARA P10276 2/20 0.43
KMT2A Q03164 3/20 0.42
ESR1 P03372 2/20 0.42
HIF1A Q16665 2/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PTPN1 P18031 2/20 0.39
ELANE P08246 1/20 0.39
PTPN11 Q06124 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
MEN1 O00255 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
SCHEMBL8397572 0.85 RARA (0.53) RARBRARGACHERARAKMT2A
SCHEMBL8400865 0.84 RARB (0.44) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8401653 0.84 RARB (0.51) RARBRARGACHERARAESR1
SCHEMBL8400759 0.81 GLA (0.44) RARBRARGACHERARAKMT2A
SCHEMBL8399068 0.81 TSHR (0.41) RARBRARGACHERARAKMT2A
SCHEMBL8401324 0.78 GLA (0.36) RARBRARGACHEKMT2ARECQL
SCHEMBL252281 0.77 RARB (0.49) RARBRARGRARAKMT2ARECQL
SCHEMBL8401581 0.76 ACHE (0.39) RARBRARGACHERARAKMT2A
SCHEMBL8400764 0.76 RARB (0.37) RARBRARGACHERARAKMT2A
SCHEMBL1681252 0.75 KMT2A (0.55) ACHEKMT2AESR1HIF1ARECQL

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-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed