SCHEMBL1046133

SCHEMBL1046133

Cc1cc(C)c(N2CCN=C2C23CC4CC(CC(C4)C2)C3)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ NPY5R Q15761 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL1421004 0.72 SIGMAR1 (0.49) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL5394610 0.70 SIGMAR1 (0.44) ALDH1A1MAPTKDM4EHSD17B10TSHR
Bromide SCHEMBL18606183 0.68 SIGMAR1 (0.46) ALDH1A1MAPTKDM4EHSD17B10TSHR
SCHEMBL12988758 0.67 HDAC8 (0.41) ALDH1A1HSD17B10TSHRLMNATP53
Hydrochloric Acid SCHEMBL1697514 0.66 HDAC8 (0.40) ALDH1A1HSD17B10TSHRLMNATP53
SCHEMBL27913554 0.65 SMN1; SMN2 (0.42) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL20960631 0.64 ALDH1A1 (0.58) ALDH1A1LMNA
SCHEMBL20032907 0.62 ALDH1A1 (0.38) ALDH1A1MAPTHSD17B10TSHRTP53
SCHEMBL1046899 0.62 ALDH1A1 (0.38) ALDH1A1MAPTHSD17B10TSHRTP53
SCHEMBL16537833 0.61 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271338-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2011-01-12 — — EP claimed
WO-2009123569-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-10-08 — — WO claimed
WO-2011059803-A2 RUTHENIUM-ALKYLIDENES CONTAINING ACYCLIC DIAMINOCARBENES FOR OBTAINING LOW E/Z RATIOS IN CROSS METATHESIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-05-19 — — WO disclosed
EP-2271338-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2011-01-12 — — EP disclosed
EP-2249832-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2010-11-17 — — EP disclosed
WO-2009123569-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-10-08 — — WO disclosed
WO-2009096905-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-08-06 — — WO disclosed
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