SCHEMBL4979869

SCHEMBL4979869

N=C(Nc1ccc(CCCCO)cc1)Nc1ccc(CCCCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.50
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
SPHK2 Q9NRA0 1/20 0.46
CA2 P00918 2/20 0.44
LMNA P02545 1/20 0.44

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
Bromide SCHEMBL5461826 0.98 SPHK1 (0.49) SPHK1CYP4F2CYP4A11SPHK2CA2
SCHEMBL4985473 0.81 THRA (0.60) SPHK1SPHK2CA2LMNA
SCHEMBL4980235 0.81 POLB (0.60) SPHK1CA2LMNA
SCHEMBL242504 0.78 CA2 (0.61) CYP4F2CYP4A11CA2LMNA
SCHEMBL6534832 0.78 CYP4F2 (0.56) SPHK1CYP4F2CYP4A11SPHK2CA2
SCHEMBL23837668 0.76 CA2 (0.63) CYP4F2CYP4A11CA2LMNA
SCHEMBL4195590 0.76 CA2 (0.63) CYP4F2CYP4A11CA2LMNA
SCHEMBL3424786 0.76 CA2 (0.63) CYP4F2CYP4A11CA2LMNA
SCHEMBL9670730 0.76 CA2 (0.63) CYP4F2CYP4A11CA2LMNA
SCHEMBL31512262 0.76 CA2 (0.63) CYP4F2CYP4A11CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351743-B1 Therapeutic guanidines WYETH (US) 2008-04-01 US disclosed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed
EP-0751767-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0751767-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-01-08 EP disclosed
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 WO disclosed