SCHEMBL7328711

SCHEMBL7328711

CCCC(C)(Cc1c(NC(C)=O)ccc(C(=O)O)c1O)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
ESR1 P03372 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
PKM P14618 3/20 0.34
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
APOBEC3A P31941 1/20 0.33
RECQL P46063 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL7327875 0.91 KMT2A (0.39) STAT3CTDSP1SIRT5KMT2ASMN1; SMN2
SCHEMBL7335918 0.74 STAT3 (0.40) STAT3CTDSP1SIRT5KMT2ASMN1; SMN2
SCHEMBL7328403 0.69 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2LMNAESR1ALDH1A1
SCHEMBL6896594 0.68 ALDH1A1 (0.45) KMT2ASMN1; SMN2ALDH1A1MEN1CYP2C9
SCHEMBL7325433 0.67 PSMD10 (0.43) STAT3CTDSP1SIRT5KMT2ASMN1; SMN2
SCHEMBL2965923 0.66 KDM4E (0.43) KMT2ASMN1; SMN2LMNAESR1ALDH1A1
SCHEMBL7333041 0.66 KDM4E (0.51) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL7327836 0.65 KMT2A (0.38) STAT3CTDSP1SIRT5KMT2ASMN1; SMN2
SCHEMBL10739653 0.65 KDM4E (0.42) KMT2ASMN1; SMN2LMNAESR1ALDH1A1
SCHEMBL14778175 0.64 ALDH1A1 (0.42) KMT2ASMN1; SMN2ALDH1A1MEN1CYP2C9

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