SCHEMBL7966491

SCHEMBL7966491

O=C(Cl)OC(=O)OCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
PKM P14618 2/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL8411974 0.90 HSD11B1 (0.47) HSD11B1PKMALDH1A1LMNAMAPT
SCHEMBL1283002 0.81 F2 (0.48) HSD11B1PKMALDH1A1LMNAMAPT
SCHEMBL6754818 0.81 HSD11B1 (0.47) HSD11B1PKMALDH1A1LMNAMAPT
SCHEMBL14816982 0.81 PKM (0.49) HSD11B1PKMALDH1A1LMNAMAPT
SCHEMBL13839049 0.78 PKM (0.46) HSD11B1PKMALDH1A1LMNAMAPT
SCHEMBL8691250 0.77 HTR2A (0.54) ALDH1A1MAPT
SCHEMBL9420457 0.76 CA1 (0.48) HSD11B1PKMALDH1A1KMT2APOLB
SCHEMBL19126866 0.75 CA2 (0.59) HSD11B1PKMALDH1A1KMT2ACA1
SCHEMBL18342911 0.74 F2 (0.49) HSD11B1PKMALDH1A1KMT2APOLB
SCHEMBL1283000 0.73 HSD11B1 (0.48) HSD11B1PKMALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265590-B1 NEW PROTECTED AMINO ACID DERIVATIVES USEFUL FOR PEPTIDE SYNTHESIS HYUNDAI PHARM, IND. CO., LTD. (KR) 2001-07-24 US claimed
EP-0765307-B1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM IND CO LTD (KR) 1999-10-20 EP claimed
EP-0934260-A1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS Hyundai Pharm. Ind. Co., Ltd. (KR) 1999-08-11 EP claimed
WO-1998017638-A1 Nα-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM. IND. CO., LTD. (KR) 1998-04-30 WO claimed
EP-0765307-A1 N ALPHA-2-(4-NITROPHENULSULFONYL)ETHOXYCARBONYL-AMINO ACIDS Hyundai Pharm. Ind. Co., Ltd. (KR) 1997-04-02 EP claimed
US-5616788-A FOR SOLID PHASE PEPTIDE SYNTHESIS HYUNDAI PHARM. IND. CO., LTD. (KR) 1997-04-01 US claimed
WO-1996025394-A1 Nα-2-(4-NITROPHENULSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM. IND. CO., LTD. (KR) 1996-08-22 WO claimed