SCHEMBL9090745

SCHEMBL9090745

NCCCCNC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 3/20 0.46
▸ CHRNG P07510 3/20 0.46
▸ CHRNB1 P11230 3/20 0.46
▸ CHRND Q07001 3/20 0.46
▸ CAPN1 P07384 8/20 0.46
▸ CTSK P43235 2/20 0.46
▸ CAPN9 O14815 2/20 0.46
▸ CTSB P07858 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSH P09668 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSC P53634 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ BLM P54132 1/20 0.46

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
SCHEMBL9091432 0.86 CHRNA1 (0.58) CHRNA1CHRNGCHRNB1CHRNDCAPN1
SCHEMBL9090677 0.86 CHRNA1 (0.58) CHRNA1CHRNGCHRNB1CHRNDCAPN1
SCHEMBL240780 0.86 CHRNA1 (0.58) CHRNA1CHRNGCHRNB1CHRNDCAPN1
SCHEMBL7208901 0.85 CHRND (0.60) CHRNA1CHRNGCHRNB1CHRND
SCHEMBL9089141 0.81 CHRND (0.61) CHRNA1CHRNGCHRNB1CHRND
SCHEMBL9089190 0.79 CAPN1 (0.49) CHRNA1CHRNGCHRNB1CHRNDCAPN1
SCHEMBL9089926 0.78 CAPN1 (0.56) CAPN1CTSKCAPN9CTSBMAPK1
SCHEMBL14345716 0.77 CHRNB2 (0.67) CHRNA1CHRNGCHRNB1CHRNDGRIN1
SCHEMBL10632510 0.77 CHRNA1 (0.48) CHRNA1CHRNGCHRNB1CHRNDCAPN1
SCHEMBL11064441 0.77 CAPN1 (0.62) CAPN1CTSKCAPN9CTSBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556853-A THIOL PROTEASE INHIBITORS, TREATMENT OF OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-17 — — US disclosed
EP-0655447-A1 Epoxysuccinic acid derivatives Takeda Chemical Industries, Ltd. (JP) 1995-05-31 — — EP disclosed
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