SCHEMBL8108955

SCHEMBL8108955

O=C(NC(c1ccccc1)[C@H](O)C(=O)O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.67
HPGD P15428 1/20 0.67
HDAC1 Q13547 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TP53 P04637 1/20 0.54
CTRB1 P17538 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
HPGDS O60760 1/20 0.49
SLC1A2 P43004 1/20 0.49
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
EPHX2 P34913 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44

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
SCHEMBL4164616 1.00 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL6277 1.00 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL1271236 1.00 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL27882748 1.00 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL530337 1.00 LMNA (0.67) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
Water SCHEMBL8429009 0.98 LMNA (0.65) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL28442347 0.98 LMNA (0.65) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL28736318 0.89 LMNA (0.61) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL28736239 0.89 SMN1; SMN2 (0.61) LMNAHPGDHDAC1SMN1; SMN2ALDH1A1
SCHEMBL28736268 0.89 NPC1 (0.61) LMNAHPGDHDAC1ALDH1A1TP53

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-6020174-A (2R,3S)- AND (2S,3R)-ENANTIOMERS OF TRANS-.BETA.-PHENYLGLYCIDIC ESTERS, PREPARED BY LIPASE-MEDIATED ENANTIOSELECTIVE TRANSESTERIFICATION, ARE USED FOR THE SYNTHESIS OF THE TAXOL C-13 SIDE CHAIN THE BOARD OF GOVERNORS FOR HIGHER EDUCATION (US) 2000-02-01 US disclosed