SCHEMBL7301756

SCHEMBL7301756

O=C(O)C(Cc1ccccc1)CS(=O)(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.50
CPA3 P15088 3/20 0.49
FOLH1 Q04609 1/20 0.49
CPA1 P15085 2/20 0.45
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45
MMP8 P22894 1/20 0.45
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
FKBP1A P62942 1/20 0.43
CTSS P25774 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
SCHEMBL8909332 1.00 LMNA (0.56) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7333389 0.87 CYP1A2 (0.54) ALDH1A1MEN1KMT2ACYP1A2CPA3
SCHEMBL7293036 0.86 MEN1 (0.51) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7330813 0.84 HSD17B10 (0.50) ALDH1A1KMT2ACYP1A2CPA3FOLH1
SCHEMBL7338169 0.84 HSD17B10 (0.50) ALDH1A1KMT2ACYP1A2CPA3FOLH1
SCHEMBL9437608 0.81 LMNA (0.45) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9437606 0.81 LMNA (0.45) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9262159 0.81 FKBP1A (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL9259772 0.81 FKBP1A (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL7148417 0.80 POLB (0.55) LMNAALDH1A1MEN1KMT2AMAPT

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-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed