SCHEMBL868897

SCHEMBL868897

CC#CC(C)CC(I)NC(=O)O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5452343 0.77 CYP2D6 (0.30) CYP2D6CYP2C19
SCHEMBL21813919 0.70
SCHEMBL21813762 0.70
SCHEMBL21813760 0.70
SCHEMBL30402031 0.69 CYP2D6 (0.54) CYP2D6CYP2C19
SCHEMBL7620243 0.68
SCHEMBL15669322 0.67 GABRP (0.48) CYP2D6
SCHEMBL17110972 0.67 FFAR1 (0.32) CYP2D6CYP2C19
SCHEMBL8064369 0.67 LMNA (0.35)
SCHEMBL3104077 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507006-B2 Porous particles loaded with cosmetically or pharmaceutically active compounds L'OREAL (FR) 2013-08-13 US claimed
US-20120076841-A1 Porous Particles Loaded with Cosmetically or Pharmaceutically Active Compounds L'OREAL (FR) 2012-03-29 US claimed
WO-2014013014-A1 JAK INHIBITORS FOR ACTIVATION OF EPIDERMAL STEM CELL POPULATIONS FUNDACIÓ PRIVADA CENTRE DE REGULACIÓ GENÒMICA (CRG) (ES) 2014-01-23 WO disclosed
US-8507006-B2 Porous particles loaded with cosmetically or pharmaceutically active compounds L'OREAL (FR) 2013-08-13 US disclosed
US-20120076841-A1 Porous Particles Loaded with Cosmetically or Pharmaceutically Active Compounds L'OREAL (FR) 2012-03-29 US disclosed
US-20090047316-A1 Porous particles loaded with cosmetically or pharmaceutically active compounds L'OREAL (FR) 2009-02-19 US disclosed
US-20060003919-A1 Cosmetic/dermatological applications of LIF L'OREAL (FR) 2006-01-05 US disclosed
US-20050031699-A1 Individualized porous inorganic or organic particles having a volume-average diameter of less than or equal to 10 mu m, containing cosmetically or pharmaceutically active compound; for transporting and releasing active compound in the pilosebaceous unit L'OREAL (FR) 2005-02-10 US disclosed