SCHEMBL8517632

SCHEMBL8517632

C=CCC(=O)Oc1ccc(-c2ccc(C(=O)Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KMT2A Q03164 6/20 0.39
HSD17B10 Q99714 2/20 0.39
ESR1 P03372 2/20 0.39
HIF1A Q16665 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
SIRT5 Q9NXA8 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
ASAH1 Q13510 1/20 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
SCHEMBL9243414 0.95 HTT (0.47) HTTKMT2AHSD17B10ESR1HIF1A
SCHEMBL8861929 0.89 PARP10 (0.44) HTTKMT2AHSD17B10ESR1HIF1A
SCHEMBL8518197 0.86 HTT (0.58) HTTKMT2AHSD17B10ESR1HIF1A
Hydrochloric Acid SCHEMBL8517634 0.84 HTT (0.57) HTTHSD17B10ELANEALDH1A1L3MBTL1
SCHEMBL9283080 0.82 ESR2 (0.41) HTTKMT2AHSD17B10ESR1ELANE
SCHEMBL19764523 0.82 THRB (0.50) HTTKMT2AHSD17B10ESR1HIF1A
SCHEMBL9346190 0.82 HTT (0.42) HTTKMT2AHSD17B10ESR1HIF1A
SCHEMBL740811 0.80 THRB (0.47) KMT2AHSD17B10SMN1; SMN2ELANEALDH1A1
SCHEMBL8770703 0.80 HTT (0.63) HTTKMT2AHSD17B10ESR1HIF1A
Hydrochloric Acid SCHEMBL9243417 0.79 HTT (0.61) HTTKMT2AHSD17B10ESR1HIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891359-A FLUOROTRIESTERAROMATIC COMPOUND FOR LIQUID CRYSTALS SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1999-04-06 US disclosed
EP-0571277-B1 Antiferroelectric liquid crystal compound SHOWA SHELL SEKIYU (JP) 1996-06-26 EP disclosed
US-5320776-A Antiferroelectric liquid crystal compound SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1994-06-14 US disclosed
EP-0571277-A1 Antiferroelectric liquid crystal compound Showa Shell Sekiyu Kabushiki Kaisha (JP) 1993-11-24 EP disclosed