SCHEMBL10868045

SCHEMBL10868045

CCOC(=O)C(Cc1ccccc1)(Cc1cccc2ccccc12)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
RECQL P46063 1/20 0.48
MMP8 P22894 1/20 0.48
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44
CDC25B P30305 2/20 0.43
KDM4E B2RXH2 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MEN1 O00255 1/20 0.41
P2RX3 P56373 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
TACR1 P25103 1/20 0.41
PIN1 Q13526 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
PPID Q08752 1/20 0.40

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
SCHEMBL10867916 0.93 KMT2A (0.51) ALDH1A1KMT2ATDP1HPGDCDC25B
SCHEMBL10522472 0.86 KMT2A (0.41) ALDH1A1RECQLMMP8KMT2ATDP1
SCHEMBL4419400 0.84 ALDH1A1 (0.62) ALDH1A1RECQLMMP8PTPRCPTPN1
SCHEMBL10709206 0.84 POLB (0.50) ALDH1A1KMT2ATDP1HPGDCDC25B
SCHEMBL8871911 0.83 TDP1 (0.54) MMP8KMT2ATDP1KDM4EMEN1
SCHEMBL10422488 0.82 KMT2A (0.44) ALDH1A1KMT2ATDP1HPGDCDC25B
SCHEMBL10390172 0.82 KMT2A (0.44) ALDH1A1KMT2ATDP1HPGDCDC25B
SCHEMBL10522745 0.81 KMT2A (0.44) ALDH1A1MMP8KMT2ATDP1HPGD
SCHEMBL10522741 0.81 KMT2A (0.44) ALDH1A1MMP8KMT2ATDP1HPGD
SCHEMBL29277098 0.81 KMT2A (0.50) ALDH1A1KMT2ATDP1HPGDCDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186977-A2 Renin-inhibitory dipeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-09 EP disclosed