SCHEMBL8690764

SCHEMBL8690764

CC(C(=O)O)(c1ccccc1)N1CCN(c2ccccc2C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.45
MYC P01106 4/20 0.44
MLYCD O95822 1/20 0.43
NR4A1 P22736 1/20 0.42
RBP4 P02753 3/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.39
PTPN1 P18031 1/20 0.39
CHRM3 P20309 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL8690321 0.84 AR (0.51) ALDH1A1NPC1L3MBTL1
SCHEMBL16133045 0.84 MYC (0.49) ENPP2MYCMLYCDNR4A1RBP4
SCHEMBL8691136 0.83 KDM4E (0.52) ALDH1A1NPC1ALOX15GAA
Hydrochloric Acid SCHEMBL8691638 0.83 AR (0.50) ALDH1A1NPC1L3MBTL1
Hydrochloric Acid SCHEMBL8692936 0.82 KDM4E (0.51) ALDH1A1NPC1ALOX15GAAL3MBTL1
SCHEMBL8694553 0.81 MEN1 (0.56) ALDH1A1ALOX15GAA
SCHEMBL8048603 0.80 ALDH1A1 (0.61) ENPP2MYCMLYCDNR4A1ALDH1A1
SCHEMBL8690293 0.77 TSHR (0.50) ALDH1A1
SCHEMBL26698239 0.77 CHRM3 (0.55) ALDH1A1ALOX15CHRM3
SCHEMBL7592805 0.77 CHRM3 (0.57) CHRM3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789409-A ANTIINFLAMMATORY AGENTS SENJU PHARMACEUTICAL CO., LTD. (JP) 1998-08-04 US claimed
US-5789409-A ANTIINFLAMMATORY AGENTS SENJU PHARMACEUTICAL CO., LTD. (JP) 1998-08-04 US disclosed