SCHEMBL28051549

SCHEMBL28051549

CCc1cc2cc(C(=O)O)ccc2c(C(=O)O)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.41
BCL2 P10415 1/20 0.41
HIPK2 Q9H2X6 1/20 0.40
ACE2 Q9BYF1 3/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 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
SCHEMBL5171604 0.87 RAB9A (0.43) RAB9AMEN1KMT2ANPC1PTPN1
SCHEMBL897604 0.79 MEN1 (0.63) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL812628 0.77 PTPN1 (0.56) MEN1KMT2APTPN1ALDH1A1KDM4E
SCHEMBL31401718 0.77 PTPN1 (0.56) MEN1KMT2APTPN1ALDH1A1KDM4E
SCHEMBL6651804 0.77 PTPN1 (0.44) RAB9AMEN1KMT2ANPC1PTPN1
SCHEMBL6651854 0.75 RARB (0.42) KDM4ERXRATDP1TSHR
SCHEMBL9402988 0.75 PTPN1 (0.45) RAB9AMEN1KMT2ANPC1PTPN1
SCHEMBL1336380 0.73 PTPN1 (0.41) NPC1PTPN1KDM4EACE2GAA
SCHEMBL18543774 0.73 RARB (0.49) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL7764831 0.73 HIPK2 (0.41) MEN1KMT2APTPN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110431156-A Solidification compound TOKUYAMA DENTAL CORP 2019-11-08 CN disclosed
CN-109890343-A curable composition 株式会社德山齿科 2019-06-14 CN disclosed
CN-103068411-B Emophysematous therapeutic agent TERUMO CORP. (JP) 2016-01-20 CN disclosed