SCHEMBL4010299

SCHEMBL4010299

CCc1cc(C)ccc1N(O)O.CCc1ccccc1N(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MAPK1 P28482 1/20 0.39
PTGER1 P34995 6/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 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
SCHEMBL146113 0.91 AMY1A (0.37) HTTL3MBTL1HPGDKDM4EKMT2A
Hydrochloric Acid SCHEMBL30471359 0.89 AMY1A (0.36) HTTL3MBTL1HPGDNPSR1KDM4E
SCHEMBL29484238 0.85 GABRA1 (0.46) HTTL3MBTL1TSHRLMNAHPGD
SCHEMBL154994 0.85 GABRA1 (0.46) HTTL3MBTL1TSHRLMNAHPGD
SCHEMBL23787767 0.84 HTT (0.40) HTTL3MBTL1TSHRLMNAHPGD
SCHEMBL2157219 0.78 AMY1A (0.36) HTTL3MBTL1HPGDKDM4EPOLB
SCHEMBL147150 0.77 TAAR1 (0.37) HTTTSHRHPGDNPSR1KDM4E
SCHEMBL7634615 0.77 HPGD (0.36) HTTL3MBTL1HPGDNPSR1KDM4E
SCHEMBL20852899 0.74 ALDH1A1 (0.38) HTTL3MBTL1TSHRNPSR1KDM4E
SCHEMBL10225708 0.74 MAPT (0.37) L3MBTL1TSHRKDM4EGAAGPR55

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-7488762-B2 Two paste-type glass ionomer cement KABUSHIKI KAISHA SHOFU (JP) 2009-02-10 US disclosed
US-20060247330-A1 Two paste-type glass ionomer cement KABUSHIKI KAISHA SHOFU (JP) 2006-11-02 US disclosed