SCHEMBL7804617

SCHEMBL7804617

CS(=O)(=O)OCC(C1CC1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL21244739 0.91 ALDH1A1 (0.34) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2349502 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL24687888 0.76 CA2 (0.39) MMP9
SCHEMBL9636678 0.74 ALDH1A1 (0.34) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL19285277 0.71 — —
SCHEMBL19285278 0.71 — —
SCHEMBL23670622 0.71 — —
SCHEMBL3742377 0.71 CA14 (0.36) —
SCHEMBL16716855 0.70 — —
SCHEMBL32683518 0.70 L3MBTL1 (0.37) ALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775132-B1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2001-03-28 — — EP disclosed
US-5968923-A ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS PFIZER INC. (US) 1999-10-19 — — US disclosed
EP-0775132-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 1997-05-28 — — EP disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 — — WO disclosed
Send feedback