SCHEMBL9756730

SCHEMBL9756730

O=C(O)c1cc(S(=O)(=O)O)cc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.49
MCL1 Q07820 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
PTGER1 P34995 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
PTPN1 P18031 1/20 0.42
S1PR3 Q99500 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9756722 0.87 LMNA (0.52) L3MBTL1ALDH1A1MEN1KMT2APTPN1
SCHEMBL9756728 0.87 SGMS2 (0.43) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL5839199 0.79 FOLH1 (0.56) FOLH1MCL1L3MBTL1KDM4EALDH1A1
SCHEMBL16632852 0.76 KDM4E (0.52) FOLH1MCL1L3MBTL1KDM4EALDH1A1
SCHEMBL16632850 0.76 KDM4E (0.52) FOLH1MCL1L3MBTL1KDM4EALDH1A1
SCHEMBL2743027 0.76 ATM (0.51) L3MBTL1ALDH1A1POLBKMT2AMAPT
SCHEMBL4301163 0.76 FOLH1 (0.55) FOLH1MCL1L3MBTL1KDM4EALDH1A1
SCHEMBL3102000 0.75 ATM (0.50) L3MBTL1ALDH1A1POLBKMT2AMAPT
SCHEMBL1305739 0.75 PTGER1 (0.61) FOLH1MCL1L3MBTL1ALDH1A1PTGER1
SCHEMBL6762318 0.75 CTSV (0.52) FOLH1PTGER1

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-5077432-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-12-31 US disclosed
EP-0438752-A1 Monobactam hydrazides containing catechol sulfonic acid groups E.R. SQUIBB & SONS, INC. (US) 1991-07-31 EP disclosed
US-5030724-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-07-09 US disclosed