SCHEMBL8933057

SCHEMBL8933057

CN([C@@](C)(Cc1ccc(O)cc1)C(=O)O)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.51
ESR1 P03372 5/20 0.44
ESR2 Q92731 4/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CA2 P00918 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
ESRRG P62508 3/20 0.36
MTOR P42345 2/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.35
CYP1A2 P05177 1/20 0.35
FYN P06241 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6674277 0.82 BLM (0.59) BLMESR1ESR2MEN1KMT2A
SCHEMBL6725266 0.82 BLM (0.59) BLMESR1ESR2MEN1KMT2A
SCHEMBL27973999 0.74 BLM (0.53) BLMESR1ESR2MEN1KMT2A
SCHEMBL11596247 0.71 BLM (0.67) BLMESR1ESR2MEN1KMT2A
SCHEMBL5004593 0.71 BLM (0.67) BLMESR1ESR2MEN1KMT2A
SCHEMBL28136645 0.71 BLM (0.46) BLMESR1ESR2MEN1KMT2A
SCHEMBL20299947 0.70 BLM (0.51) BLMESR1ESR2MEN1KMT2A
SCHEMBL13809480 0.70 BLM (0.65) BLMESR1ESR2MEN1KMT2A
SCHEMBL25583339 0.69 BLM (0.59) BLMESR1ESR2MEN1KMT2A
SCHEMBL9137764 0.69 FDPS (0.50) MEN1KMT2ATSHRCYP1A2CYP3A4

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
WO-1996023813-A1 PEPTIDES AND COMPOUNDS THAT BIND TO SH2 DOMAINS AFFYMAX TECHNOLOGIES N.V. (AN) 1996-08-08 WO disclosed