SCHEMBL7311558

SCHEMBL7311558

COC(=O)[C@@H]1[C@@H](CCCNC(=NC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.43
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
MAPT P10636 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
LMNA P02545 2/20 0.36
FKBP1A P62942 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ELANE P08246 1/20 0.35
POLB P06746 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34

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
SCHEMBL7311564 1.00 FOLH1 (0.43) FOLH1TPSAB1TPSD1TPSG1MAPT
SCHEMBL7373560 0.89 ELANE (0.37) TPSAB1TPSD1TPSG1MMP2MMP9
SCHEMBL7373562 0.89 ELANE (0.37) TPSAB1TPSD1TPSG1MMP2MMP9
SCHEMBL7319787 0.83 TGM2 (0.45) ELANE
SCHEMBL7371476 0.82 FOLH1 (0.40) FOLH1TPSAB1TPSD1TPSG1ELANE
SCHEMBL7371479 0.82 FOLH1 (0.40) FOLH1TPSAB1TPSD1TPSG1ELANE
SCHEMBL7313381 0.81 TGM2 (0.46) ELANE
SCHEMBL7379636 0.79 TPSAB1 (0.44) FOLH1TPSAB1TPSD1TPSG1KMT2A
SCHEMBL7379638 0.79 TPSAB1 (0.44) FOLH1TPSAB1TPSD1TPSG1KMT2A
SCHEMBL7318925 0.78 ELANE (0.37) TPSAB1TPSD1TPSG1LMNAMEN1

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
US-5110812-A Treatment of pancreatitis; anticoagulants BRISTOL-MYERS SQUIBB CO. (US) 1992-05-05 US claimed
US-5326863-A Antithrombin and antitrypsin activity BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-05 US disclosed
US-5175283-A Enzyme inhibitors for antitrypsin or antithrombin as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1992-12-29 US disclosed
US-5110812-A Treatment of pancreatitis; anticoagulants BRISTOL-MYERS SQUIBB CO. (US) 1992-05-05 US disclosed
US-5037819-A Anticoagulant; treating pancreatitis BRISTOL-MYERS SQUIBB COMPANY (US) 1991-08-06 US disclosed