SCHEMBL8486002

SCHEMBL8486002

Cn1cc(CC(NC(=O)OCc2ccccc2)C(=O)O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 1/20 0.49
▸ ITGB3 P05106 7/20 0.49
▸ ITGA2B P08514 7/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CTSK P43235 2/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ ITGA4 P13612 1/20 0.47
▸ ITGB7 P26010 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NMBR P28336 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TACR1 P25103 2/20 0.46
▸ KDM4E B2RXH2 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
SCHEMBL9082551 1.00 ADAM17 (0.49) ADAM17ITGB3ITGA2BMEN1KMT2A
SCHEMBL5827687 0.95 ITGA4 (0.49) ADAM17ITGB3ITGA2BMEN1KMT2A
SCHEMBL5827689 0.95 ITGA4 (0.49) ADAM17ITGB3ITGA2BMEN1KMT2A
SCHEMBL5396967 0.92 ITGB3 (0.52) ADAM17ITGB3ITGA2BMEN1KMT2A
SCHEMBL5396976 0.92 ITGB3 (0.52) ADAM17ITGB3ITGA2BMEN1KMT2A
SCHEMBL21747166 0.89 ADAM17 (0.51) ADAM17MEN1KMT2AKDM4E
SCHEMBL18396076 0.89 ADAM17 (0.51) ADAM17MEN1KMT2AKDM4E
SCHEMBL14338218 0.87 ALDH1A1 (0.46) ADAM17ITGB3MEN1KMT2ACTSK
SCHEMBL19339797 0.87 ADAM17 (0.53) ADAM17MEN1KMT2AALDH1A1MAPT
SCHEMBL2708537 0.87 ADAM17 (0.53) ADAM17MEN1KMT2AALDH1A1MAPT

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-5981755-A Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 1999-11-09 — — US disclosed
US-5856354-A RESPIRATORY SYSTEM DISORDERS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS, VISION DEFECTS, ANTIALLERGENS,PAIN, NERVOUS SYSTEM DISORDERS, HEADACHES WARNER-LAMBERT COMPANY (US) 1999-01-05 — — US disclosed
US-5716979-A NONPEPTIDES, UNIQUE IN ALKYLATION/SUBSTITUTION PATTERN ALONG THEIR BACKBONE, USEFUL FOR TREATING DISORDERS SUCH AS RESPIRATORY, INFLAMMATORY, GASTROINTESTINAL, OPHTHALMIC, ALLERGIES, PAIN, VASCULAR, MIGRANE, ARTHRITIS AND BRAIN WARNER-LAMBERT COMPANY (US) 1998-02-10 — — US disclosed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 — — US disclosed
WO-1994004494-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-03-03 — — WO disclosed
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