SCHEMBL9756722

SCHEMBL9756722

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CTSV O60911 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
SCHEMBL9756730 0.87 FOLH1 (0.49) ALDH1A1MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL9756728 0.85 SGMS2 (0.43) LMNAHPGDALDH1A1HDAC6MAPT
SCHEMBL13662895 0.78 LMNA (0.58) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL4870023 0.78 LMNA (0.52) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL1305662 0.78 HPGD (0.57) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL6274464 0.77 HTR6 (0.46) LMNAHPGDMAPTFFAR4KMT2A
SCHEMBL2338199 0.76 HPGD (0.76) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL24983669 0.76 LMNA (0.56) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL4307561 0.76 LMNA (0.56) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL30141003 0.76 LMNA (0.56) LMNAHPGDUSP2ALDH1A1TSHR

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