SCHEMBL9547063

SCHEMBL9547063

CC(NC(=O)[C@@H]1[C@H](C(=O)O)[C@@H]2CC[C@H]1O2)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
RECQL P46063 1/20 0.57
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.54
GAA P10253 1/20 0.54
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
BLM P54132 1/20 0.50
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GMNN O75496 1/20 0.47
PMP22 Q01453 1/20 0.47

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
SCHEMBL9546969 1.00 LMNA (0.62) LMNASMN1; SMN2RECQLALDH1A1HPGD
SCHEMBL9547052 0.81 KCNQ3 (0.52) LMNASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL9546966 0.78 LMNA (0.48) LMNASMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL9546970 0.78 LMNA (0.48) LMNASMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL8886108 0.76 MEN1 (0.64) LMNARECQLALDH1A1HPGDGAA
SCHEMBL19884283 0.76 RECQL (0.87) LMNASMN1; SMN2RECQLALDH1A1HPGD
SCHEMBL14314483 0.76 RECQL (0.87) LMNASMN1; SMN2RECQLALDH1A1HPGD
SCHEMBL15038846 0.76 RECQL (0.87) LMNASMN1; SMN2RECQLALDH1A1HPGD
SCHEMBL3496402 0.75 ALDH1A1 (0.78) LMNAALDH1A1GAAKDM4EKMT2A
SCHEMBL15420706 0.74 SLC6A3 (0.48) LMNARECQLALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248435-B1 PROCESS FOR PREPARING 7-OXABICYCLOHEPTANE AMINO-ALCOHOL INTERMEDIATES USEFUL IN MAKING THROMBOXANE A2 RECEPTOR ANTAGONISTS AND NOVEL INTERMEDIATES PRODUCED THEREIN E.R. Squibb & Sons, Inc. (US) 1993-03-17 EP disclosed
US-4958036-A Enantiomerically selective synthesis of certain N-substituted-2-(carbamyl 7-oxabicyclo[2.2.1]heptane-3-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1990-09-18 US disclosed
US-4851553-A 7-oxabicycloheptane amido-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1989-07-25 US disclosed
US-4816579-A 7-oxabicycloheptane amino-alcohol intermediates useful in making thromboxane A2 receptor antagonists E. R. SQUIBB & SONS, INC. (US) 1989-03-28 US disclosed
US-4687865-A Process for preparing 7-oxabicycloheptane amino-alcohol intermediates useful in making thromboxane A2 receptor antagonists E. R. SQUIBB & SONS, INC. (US) 1987-08-18 US disclosed