SCHEMBL8559282

SCHEMBL8559282

COCCOCOc1ccc(Br)cc1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.54
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.41
ALPL P05186 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 9/20 0.39
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.35
S1PR4 O95977 1/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL1632128 0.87 S1PR4 (0.46) PTGDR2LMNAHTTUSP2ALPL
SCHEMBL16244453 0.86 PTGDR2 (0.60) PTGDR2LMNAMAPK1HTTUSP2
SCHEMBL17847407 0.83 PTGDR2 (0.57) PTGDR2LMNAMAPK1HTTUSP2
SCHEMBL9980395 0.82 LMNA (0.40) LMNAMAPK1HTTALOX15KDM4E
SCHEMBL17847400 0.82 LMNA (0.43) PTGDR2LMNAMAPK1HTTUSP2
SCHEMBL13642025 0.80 KDM4E (0.50) LMNAHTTKDM4EHPGDALDH1A1
SCHEMBL19639467 0.79 LMNA (0.40) PTGDR2LMNAMAPK1HTTUSP2
SCHEMBL28367568 0.79 HPGD (0.36) LMNAKDM4EHPGDALDH1A1KMT2A
SCHEMBL2046907 0.78 HTT (0.49) LMNAMAPK1HTTALOX15KDM4E
SCHEMBL16008334 0.78 LMNA (0.47) LMNAMAPK1HTTALOX15KDM4E

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
EP-0679628-B1 Polyene derivatives, pharmaceutical and cosmetic composition containing them and their use CIRD GALDERMA (FR) 1998-04-22 EP disclosed
EP-0679628-A1 Polyene derivatives, pharmaceutical and cosmetic composition containing them and their use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1995-11-02 EP disclosed