SCHEMBL7565903

SCHEMBL7565903

CC(C)(C)c1ccccc1C(Cl)(c1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CA2 P00918 1/20 0.46
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
KIF11 P52732 1/20 0.38
NPSR1 Q6W5P4 1/20 0.33
ALOX12 P18054 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 2/20 0.32
ALOX15 P16050 2/20 0.32

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
SCHEMBL29277518 0.85 TSHR (0.44) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL580584 0.85 ALDH1A1 (0.63) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL29355273 0.85 ALDH1A1 (0.63) ALDH1A1TSHRTDP1CA2GABRA1
Methyl Alcohol SCHEMBL28457865 0.79 ALDH1A1 (0.65) ALDH1A1TSHRTDP1CA2GABRA1
Hydrochloric Acid SCHEMBL31147078 0.79 ALDH1A1 (0.57) ALDH1A1TSHRTDP1CA2GABRA1
Bromomethane SCHEMBL28461678 0.79 ALDH1A1 (0.57) ALDH1A1TSHRTDP1CA2GABRA1
Methylamine SCHEMBL28294592 0.79 ALDH1A1 (0.57) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL10824252 0.79 TSHR (0.46) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL6281520 0.77 ALDH1A1 (0.55) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL9149883 0.77 ALDH1A1 (0.55) ALDH1A1TSHRTDP1CA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741741-B1 MODIFIED OLIGONUCLEOTIDES NOVARTIS AG (CH) 2002-08-28 EP disclosed
US-6066447-A INCLUDING NUCLEOSIDE DIMERS WITH MODIFIED BACKBONES; FOR VIRICIDES AND ANTISENSE AGENTS NOVARTIS CORPORATION (US) 2000-05-23 US disclosed
EP-0741741-A1 MODIFIED OLIGONUCLEOTIDES Novartis AG (CH) 1996-11-13 EP disclosed
WO-1995020597-A1 MODIFIED OLIGONUCLEOTIDES CIBA-GEIGY AG (CH) 1995-08-03 WO disclosed