SCHEMBL19262178

SCHEMBL19262178

C[C@H]1CC1(C)C(=O)Nc1cccc(C(C)(O)P(=O)(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TP53 P04637 2/20 0.38
EPHX2 P34913 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
P2RX1 P51575 1/20 0.36
GRIN2B Q13224 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
KCNK9 Q9NPC2 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
SCHEMBL19262164 0.78 PTPRC (0.51) PTPRCALDH1A1SMN1; SMN2HDAC3HDAC8
SCHEMBL19262175 0.75 SMN1; SMN2 (0.50) PTPRCLMNAALDH1A1MEN1KMT2A
SCHEMBL1924509 0.74 TGM2 (0.51) PTPRCLMNAALDH1A1MEN1KMT2A
SCHEMBL13555450 0.74 TDP1 (0.55) PTPRCALDH1A1MEN1KMT2AHDAC3
SCHEMBL13555320 0.73 PTPRC (0.46) PTPRCLMNAALDH1A1HDAC3HDAC8
SCHEMBL11565473 0.68 CNR2 (0.39) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2361067 0.67 LMNA (0.47) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29577646 0.66 SMN1; SMN2 (0.60) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11440345 0.65 CNR2 (0.42) MEN1KMT2AEPHX2
SCHEMBL11517722 0.65 MEN1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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
US-9738064-B2 Lithographic printing plate precursor AGFA GRAPHICS N.V. (BE) 2017-08-22 US disclosed