SCHEMBL7318359

SCHEMBL7318359

C[C@H](N)C(=O)Oc1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
TRPV1 Q8NER1 1/20 0.48
TSHR P16473 2/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
PKM P14618 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 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
SCHEMBL7312572 0.91 LMNA (0.61) LMNATSHRRAB9AKMT2ATP53
SCHEMBL3876644 0.80 KMT2A (0.62) LMNATRPV1TSHRRAB9ANPC1
SCHEMBL4758947 0.80 LMNA (0.65) LMNATSHRRAB9ANPC1KMT2A
SCHEMBL15967682 0.79 LMNA (0.46) LMNATRPV1TSHRPTGS1PTGS2
SCHEMBL15984624 0.79 LMNA (0.46) LMNATRPV1TSHRPTGS1PTGS2
SCHEMBL27854530 0.79 TSHR (0.56) LMNATRPV1TSHRRAB9ANPC1
SCHEMBL15984613 0.77 LMNA (0.47) LMNATRPV1TSHRPTGS1PTGS2
SCHEMBL15984619 0.77 LMNA (0.47) LMNATRPV1TSHRPTGS1PTGS2
SCHEMBL4340762 0.77 TSHR (0.59) LMNATRPV1TSHRPTGS1PTGS2
SCHEMBL15967666 0.77 TRPV1 (0.46) LMNATRPV1TSHRPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0961779-A1 SUBSTITUTED AMINO BICYCLIC-$g(b)-LACTAM PENAM AND CEPHAM DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (CA) 1999-12-08 EP claimed
WO-1998032766-A1 SUBSTITUTED AMINO BICYCLIC-β-LACTAM PENAM AND CEPHAM DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (US) 1998-07-30 WO claimed
US-6232305-B1 ANTICANCER AGENTS; BONE DISORDERS; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS NAEJA PHARMACEUTICAL INC. (CA) 2001-05-15 US disclosed
EP-0961779-A1 SUBSTITUTED AMINO BICYCLIC-$g(b)-LACTAM PENAM AND CEPHAM DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (CA) 1999-12-08 EP disclosed
WO-1998032766-A1 SUBSTITUTED AMINO BICYCLIC-β-LACTAM PENAM AND CEPHAM DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (US) 1998-07-30 WO disclosed