SCHEMBL11255665

SCHEMBL11255665

CCOC(=O)COc1coccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 5/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ABCB1 P08183 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL11249468 0.79 L3MBTL1 (0.43) ALDH1A1HPGDKDM4EPOLBSMN1; SMN2
Water SCHEMBL11257244 0.78 L3MBTL1 (0.42) ALDH1A1HPGDKDM4EPOLBSMN1; SMN2
SCHEMBL11258085 0.76 ALDH1A1 (0.44) USP2PTPN1ALDH1A1HPGDKDM4E
SCHEMBL126289 0.76 ALOX15 (0.41) ALDH1A1HPGDKDM4ECYP3A4GAA
SCHEMBL2010417 0.73 USP2 (0.67) USP2PTPN1ALDH1A1HPGDKDM4E
SCHEMBL6900485 0.72 CYP1A2 (0.41) ALDH1A1KDM4ECYP1A2POLBCYP3A4
Water SCHEMBL11255774 0.71 RAB9A (0.55) ALDH1A1HPGDKDM4ECYP1A2POLB
SCHEMBL11257313 0.71 CYP1A2 (0.43) ALDH1A1HPGDKDM4ECYP1A2POLB
SCHEMBL19640190 0.71 TSHR (0.52) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL11825493 0.70 GLA (0.68) USP2PTPN1ALDH1A1HPGDKDM4E

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-4324892-A 7-(N-Substituted-2-phenylglycinamido)-3-substituted-3-cephem-4-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-13 US disclosed
US-4172198-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-10-23 US disclosed