SCHEMBL6272602

SCHEMBL6272602

O=C(O)C1C=C[CH]c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.37
EDNRB P24530 2/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.30
HSPA1A P0DMV8 1/20 0.30
PTPN7 P35236 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
EGFR P00533 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
SCHEMBL8890229 0.83 POLB (0.34) ALDH1A1TDP1
SCHEMBL63928 0.80 EDNRA (0.39) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL29401941 0.80 EDNRA (0.39) EDNRAEDNRBMEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL28107850 0.78 EDNRA (0.38) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL28970647 0.78 EDNRA (0.38) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL9115105 0.77 FABP7 (0.44) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL631657 0.77 HTR2A (0.31)
SCHEMBL8917182 0.77 EDNRA (0.46) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL3862739 0.71 MAOA (0.32)
SCHEMBL30661046 0.68 HTR6 (0.33) EDNRAEDNRBMEN1KMT2AALDH1A1

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
WO-2005113582-A1 SUBSTITUTED ETHANE-1,2-DIAMINES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 WO claimed
WO-1995015325-A1 IMIDAZOLYL-ALKENOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-08 WO claimed
WO-2005113582-A1 SUBSTITUTED ETHANE-1,2-DIAMINES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 WO disclosed
WO-1995015325-A1 IMIDAZOLYL-ALKENOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-08 WO disclosed
EP-0228299-A2 Silver halide grains, lightsensitive photographic material containing the same and method for preparing silver halide photographic emulsion containing the same KONICA CORPORATION (JP) 1987-07-08 EP disclosed
EP-0171238-A2 Silver halide grains, preparation thereof and light-sensitive photographic material containing said grains KONICA CORPORATION (JP) 1986-02-12 EP disclosed