SCHEMBL9672147

SCHEMBL9672147

CCOc1[c]ccc(OC(C)=O)c1OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.37
PTGS2 P35354 4/20 0.35
MEN1 O00255 4/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 4/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 3/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9672140 0.88 TSHR (0.41) TSHRMAPK1MEN1MAPTKMT2A
SCHEMBL8337165 0.87 TSHR (0.36) TSHRMAPK1KMT2AALDH1A1L3MBTL1
SCHEMBL9674008 0.85 TYMS (0.38) TSHRMEN1MAPTKMT2AALDH1A1
SCHEMBL9862075 0.82 THRB (0.39) TSHRMAPK1MEN1MAPTKMT2A
SCHEMBL285513 0.81 TSHR (0.38) TSHRMAPK1MEN1MAPTKMT2A
SCHEMBL9673871 0.79 PTGS2 (0.42) PTPN1TSHRMAPK1PTGS2NPC1
SCHEMBL9671479 0.78 MAPK1 (0.46) PTPN1TSHRMAPK1PTGS2MAPT
SCHEMBL9321984 0.77 ALDH1A1 (0.37) TSHRMEN1MAPTKMT2AALDH1A1
SCHEMBL9674003 0.76 TSHR (0.40) TSHRMAPK1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9671453 0.76 MAPK1 (0.44) PTPN1TSHRMAPK1PTGS2ALDH1A1

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
EP-0324431-B1 NEW INDOLYLPIPERIDINE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-25 EP disclosed
US-5017703-A Antiallergens, antiinflammatory FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-05-21 US disclosed
US-4935432-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-06-19 US disclosed
EP-0324431-A1 New indolylpiperidine compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-07-19 EP disclosed