SCHEMBL9345204

SCHEMBL9345204

O=[C]OC(C=Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
AKR1B10 O60218 3/20 0.46
AKR1B1 P15121 3/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HCAR2 Q8TDS4 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5049009 0.84 CYP19A1 (0.36) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL3063635 0.82 LMNA (0.54) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL8397725 0.81 ALDH1A1 (0.45) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL5693171 0.78 LMNA (0.50) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL27725358 0.77 LMNA (0.58) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL11543059 0.74 LMNA (0.55) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL13250874 0.73 LMNA (0.54) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL7357435 0.73 ALDH1A1 (0.53) LMNAALDH1A1HCAR2MAPK1L3MBTL1
SCHEMBL6133452 0.72 SRR (0.47) LMNAALDH1A1HCAR2MAPK1L3MBTL1
SCHEMBL212215 0.72 ALDH1A1 (0.51) LMNACA12CA9ALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370283-B1 Process for preparing 63-carboxyamides of teicoplanin antibiotics LEPETIT SPA (IT) 1994-06-15 EP claimed
EP-0370283-A2 Process for preparing 63-carboxyamides of teicoplanin antibiotics GRUPPO LEPETIT S.p.A. (IT) 1990-05-30 EP claimed