SCHEMBL14830333

SCHEMBL14830333

O=C(Oc1ccccc1)O[C@H](CCl)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41
LTA4H P09960 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL16180265 0.82 ALDH1A1 (0.48) ALDH1A1CA12CA9KMT2AMAPK1
SCHEMBL5810977 0.81 ALDH1A1 (0.47) ALDH1A1CA12CA9KMT2AMAPK1
SCHEMBL5810973 0.81 ALDH1A1 (0.47) ALDH1A1CA12CA9KMT2AMAPK1
SCHEMBL14830332 0.77 USP2 (0.35) ALDH1A1KMT2ATDP1SMN1; SMN2RAB9A
SCHEMBL14830582 0.76 ALOX15 (0.38) ALDH1A1TDP1MAPT
SCHEMBL14838802 0.73 MTNR1A (0.38) ALDH1A1KMT2ATDP1RAB9AMAPT
SCHEMBL14830271 0.71 MTNR1A (0.52) ALDH1A1MAPT
SCHEMBL14830272 0.71 MTNR1A (0.52) ALDH1A1MAPT
SCHEMBL14720810 0.69 USP2 (0.35) ALDH1A1TDP1MAPT
SCHEMBL29051390 0.69 USP2 (0.35) ALDH1A1TDP1MAPT

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
WO-2013046211-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-N-({(5S)-2-OXO-3-[4-(3-OXO-4-MORPHOLINYL) PHENYL]-1,3-OXAZOLIDIN-5-YL}METHYL)-2-THIOPHENE-CARBOXAMIDE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-04-04 WO disclosed
WO-2013046211-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-N-({(5S)-2-OXO-3-[4-(3-OXO-4-MORPHOLINYL) PHENYL]-1,3-OXAZOLIDIN-5-YL}METHYL)-2-THIOPHENE-CARBOXAMIDE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-04-04 WO disclosed