SCHEMBL9088720

SCHEMBL9088720

CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCN

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 3/20 0.53
▸ CHRNB2 P17787 1/20 0.53
▸ CHRNB4 P30926 1/20 0.53
▸ CHRNA3 P32297 1/20 0.53
▸ CHRNA4 P43681 1/20 0.53
▸ CHRND Q07001 9/20 0.52
▸ CHRNA1 P02708 5/20 0.52
▸ CHRNG P07510 5/20 0.52
▸ CHRNB1 P11230 5/20 0.52
▸ CTSL P07711 3/20 0.52
▸ CTSB P07858 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CTSG P08311 1/20 0.52
▸ PLG P00747 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ GRIA1 P42261 1/20 0.47

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
Hydrochloric Acid SCHEMBL9090563 0.99 CAPN1 (0.52) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9088881 0.91 CAPN1 (0.54) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9086642 0.91 PLG (0.48) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7402596 0.90 CAPN1 (0.55) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7761860 0.89 CAPN1 (0.58) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7408113 0.89 CAPN1 (0.52) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9229415 0.89 CHRNB2 (0.54) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7406175 0.89 TSHR (0.57) CAPN1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL7405238 0.89 CAPN1 (0.53) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7762766 0.88 CTSL (0.60) CAPN1CTSLCTSBLMNACTSG

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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