SCHEMBL7325433

SCHEMBL7325433

COC(=O)c1ccc(NC(C)=O)c(CCCCOS(=O)(=O)c2ccc(C)cc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMD10 O75832 1/20 0.43
KMT2A Q03164 2/20 0.40
STAT3 P40763 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PKM P14618 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7327836 0.83 KMT2A (0.38) KMT2ASTAT3CTDSP1SIRT5SMN1; SMN2
SCHEMBL7327731 0.79 CYP4A11 (0.43) KMT2ASMN1; SMN2LMNATSHRALDH1A1
SCHEMBL13215874 0.78 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2LMNATSHRALDH1A1
SCHEMBL7327875 0.77 KMT2A (0.39) KMT2ASTAT3CTDSP1SIRT5SMN1; SMN2
SCHEMBL9868368 0.77 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2LMNATSHRALDH1A1
SCHEMBL7331494 0.76 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2LMNATSHRALDH1A1
SCHEMBL19211610 0.75 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2LMNATSHRALDH1A1
SCHEMBL7335918 0.74 STAT3 (0.40) KMT2ASTAT3CTDSP1SIRT5SMN1; SMN2
SCHEMBL9664444 0.74 LMNA (0.55) KMT2ASTAT3CTDSP1SIRT5SMN1; SMN2
SCHEMBL890725 0.70 ALDH1A1 (0.50) PSMD10KMT2ASTAT3SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4924010-A GASTROINTESTINAL DISORDERS RORER PHARMACEUTICAL CORPORATION (US) 1990-05-08 US disclosed
US-4859683-A Certain benzoxepins and their pharmaceutical compositions and methods RORER PHARMACEUTICAL CORPORATION (US) 1989-08-22 US disclosed
US-4857517-A Quinuclidyl benzoxepins as 5-HT3 antagonists RORER PHARMACEUTICAL CORPORATION (US) 1989-08-15 US disclosed