SCHEMBL7539798

SCHEMBL7539798

CC(C)(CN)Oc1ccc(OBOc2ccc(OC(C)(C)CN)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
PPARG P37231 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
SCHEMBL11254145 0.79 ACHE (0.41) NPC1ALDH1A1MAPTRAB9A
SCHEMBL5392701 0.78 SCN10A (0.32) PPARASCN10APPARG
SCHEMBL18260863 0.78 APP (0.41) SCN10A
SCHEMBL15718370 0.78 ALDH1A1 (0.41) PPARANPC1ALDH1A1MAPTMAPK1
SCHEMBL3161252 0.78 MAOB (0.40) SCN10AALDH1A1
SCHEMBL5675865 0.77 TAAR1 (0.46) ALDH1A1PPARG
SCHEMBL503302 0.76 SLC6A2 (0.37) PPARANPC1ALDH1A1MAPTHPGD
SCHEMBL1353598 0.73 TAAR1 (0.30)
SCHEMBL5139988 0.71 LOXL2 (0.47) ALDH1A1MAPK1
SCHEMBL5156847 0.69 CA1 (0.55) NPC1ALDH1A1MAPTRAB9A

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
US-6448294-B1 SUCH AS 1,5-DICHORO- OR 5-(4-(2-(DIMETHYLAMINO)ETHOXY)PHENYL) SUBSTITUTED -6-(4-HYDROXYPHENYL)-2-NAPHTHALENOLS; ANTIUTERO-TROPHIC AND REPLACEMENT TREATMENT OF SYMPTOMS LINKED TO MENOPAUSE PARTICULARLY OSTEOPOROSIS AVENTIS PHARMA S.A. (FR) 2002-09-10 US disclosed
EP-0880496-B1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS AVENTIS PHARMA SA (FR) 2002-05-29 EP disclosed