SCHEMBL5675701

SCHEMBL5675701

CCOC(=O)C1(NC(=O)c2ccc3c(c2)OCO3)CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
RAB9A P51151 7/20 0.56
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TAS1R3 Q7RTX0 5/20 0.52
TAS1R1 Q7RTX1 5/20 0.52
NPC1 O15118 5/20 0.52
KMT2A Q03164 1/20 0.51
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
TP53 P04637 2/20 0.49
GLA P06280 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL18059053 0.83 TSHR (0.61) TSHRRAB9AMAPTL3MBTL1TAS1R3
SCHEMBL1842072 0.82 TSHR (0.69) TSHRRAB9AMAPTNPC1KMT2A
SCHEMBL12024335 0.80 TSHR (0.60) TSHRRAB9AMAPTNPC1HPGD
SCHEMBL12023765 0.76 TSHR (0.61) TSHRRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5674454 0.74 TAS1R3 (0.60) TSHRMAPTTAS1R3TAS1R1HPGD
SCHEMBL12024325 0.74 NPC1 (0.54) TSHRRAB9AMAPTNPC1KMT2A
SCHEMBL1837613 0.74 TSHR (0.59) TSHRRAB9AMAPTL3MBTL1NPC1
SCHEMBL15241796 0.74 TSHR (0.58) TSHRRAB9AMAPTTAS1R3TAS1R1
SCHEMBL29394052 0.73 RAB9A (0.73) TSHRRAB9AMAPTL3MBTL1NPC1
SCHEMBL1640023 0.73 RAB9A (0.73) TSHRRAB9AMAPTL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1616859-B1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP disclosed
EP-1619189-B1 N-(3-acyl-2-hydroxyalkyl) cycloalkyl amide derivatives SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP disclosed
EP-1008592-B1 Cyclic amide derivatives which inhibit cathepsin K SEIKAGAKU KOGYO CO LTD (JP) 2006-02-01 EP disclosed
EP-1619189-A1 N-(3-acyl-2-hydroxyalkyl) cycloalkyl amide derivatives SEIKAGAKU CORPORATION (JP) 2006-01-25 EP disclosed
EP-1616867-A1 Hydroxycarboxylic acid derivatives SEIKAGAKU CORPORATION (JP) 2006-01-18 EP disclosed
EP-1616859-A1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU CORPORATION (JP) 2006-01-18 EP disclosed
US-6117870-A USEFUL AS THERAPEUTIC DRUG OR PREVENTIVE DRUG OF ARTHRITIS AND RHEUMATISM DUE TO INCREASE OF BONE RESORPTION IN ADDITION TO BONE DISEASES SUCH AS OSTEOPOROSIS, HYPERCALCEMIA, AND PAGET'S DISEASE FUJIREBIO KABUSHIKI KAISHA (JP) 2000-09-12 US disclosed
EP-1008592-A2 Cyclic amide derivatives which inhibit cathepsin K Fujirebio Kabushiki Kaisha (JP) 2000-06-14 EP disclosed