SCHEMBL6454889

SCHEMBL6454889

Oc1ccc(-c2ccc3ccccc3c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.70
RARG P13631 7/20 0.70
RARA P10276 6/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
TP53 P04637 1/20 0.70
CYP3A4 P08684 1/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.70
ALOX15 P16050 1/20 0.70
ALOX12 P18054 1/20 0.70
MAPK1 P28482 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HSD17B10 Q99714 1/20 0.70
THRB P10828 1/20 0.57
RECQL P46063 1/20 0.57
NR2E1 Q9Y466 1/20 0.57
HDAC3 O15379 1/20 0.52

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
SCHEMBL18678069 0.86 RARB (0.65) RARBRARGRARAMEN1KMT2A
SCHEMBL24353029 0.83 RARB (0.64) RARBRARGRARAMEN1KMT2A
SCHEMBL29462799 0.83 RARB (0.64) RARBRARGRARAMEN1KMT2A
SCHEMBL29920484 0.83 RARB (0.64) RARBRARGRARAMEN1KMT2A
SCHEMBL2915816 0.83 RARB (0.64) RARBRARGRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL174205 0.82 RARG (1.00) RARBRARGRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29727107 0.82 RARG (1.00) RARBRARGRARAMEN1KMT2A
SCHEMBL12890749 0.82 RARB (0.62) RARBRARGRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29357288 0.82 RARG (1.00) RARBRARGRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29357074 0.82 RARG (1.00) RARBRARGRARAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109589324-A The therapeutic agent of angle disorder of conjunctiva 国立大学法人山口大学 2019-04-09 CN claimed
CN-105188753-B Therapeutic agent for keratoconjunctival disorder 国立大学法人山口大学 2018-12-18 CN claimed
CN-103142460-B Composition containing at least one naphthoic acid derivative, benzoyl peroxide and at least one film forming agent, their preparation method and its usage 盖尔德马研究及发展公司 2016-08-31 CN disclosed
EP-1567172-A2 FORMULATIONS USEFUL AGAINST HEPATITIS C VIRUS INFECTIONS GPC Biotech AG (DE) 2005-08-31 EP disclosed
WO-2004050101-A3 FORMULATIONS USEFUL AGAINST HEPATITIS C VIRUS INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2004-09-10 WO disclosed
WO-2004050101-A2 FORMULATIONS USEFUL AGAINST HEPATITIS C VIRUS INFECTIONS GPC BIOTECH AG (DE) 2004-06-17 WO disclosed
EP-0850067-A4 METHOD FOR TREATING CANCERS USING 6- 3- 1-ADAMANTYL]-4-HYDROXYPHENYL] CIRD GALDERMA (FR) 1999-12-15 EP disclosed
EP-0850067-A1 METHOD FOR TREATING CANCERS USING 6- 3- 1-ADAMANTYL]-4-HYDROXYPHENYL] CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-07-01 EP disclosed
WO-1997003682-A1 METHOD FOR TREATING CANCERS USING 6-[3-[1-ADAMANTYL]-4-HYDROXYPHENYL] CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. GALDERMA (FR) 1997-02-06 WO disclosed