SCHEMBL8412258

SCHEMBL8412258

COC(=O)C(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)NC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
PTPN1 P18031 2/20 0.57
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
PPARG P37231 1/20 0.54
ACE P12821 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.53
GPR132 Q9UNW8 2/20 0.53
CTSL P07711 1/20 0.51
SMPD1 P17405 2/20 0.50
LNPEP Q9UIQ6 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ERAP2 Q6P179 1/20 0.50
YAP1 P46937 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL8408864 0.92 ACE (0.64) GAARAB9APTPN1ACEGPR132
SCHEMBL8408968 0.90 GPR132 (0.65) PTPN1PPARGACEGPR132
SCHEMBL10465688 0.86 ACE (0.57) GAARAB9APTPN1ALDH1A1LMNA
SCHEMBL4107015 0.84 KLK5 (0.58) PTPN1ALDH1A1LMNAPPARGACE
SCHEMBL4107063 0.84 KLK5 (0.58) PTPN1ALDH1A1LMNAPPARGACE
SCHEMBL2461492 0.83 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL31206887 0.83 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL1793176 0.83 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL1123055 0.82 GAA (0.80) GAARAB9APTPN1ALDH1A1LMNA
SCHEMBL9159625 0.82 GAA (0.61) GAARAB9AALDH1A1LMNAGLA

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-5864041-A REACTING N-ACYL-3,4-DIHYDROXYPHENYLALAMINE DERIVATIVE WITH A HALOGEN RADICAL GENERATOR, A CERIUM SALT IN PRESENCE OR ABSENCE OF COPPER SALT CATALYST, OR A PERSULFATE SALT WITH COPPER CATALYST; USEFUL FOR TREATING NERVOUS SYSTEM DISORDERS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-01-26 US disclosed
US-5739387-A CATALYTIC CYCLIZATION WITH A CERIUM SALT OR A PERSULFATE SALT, DECYCLIZATION, DEBLOCKING AND DEPROTECTING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed