SCHEMBL986620

SCHEMBL986620

O=C(OC1CCC(c2ccccc2)CC1)C(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
SLC18A3 Q16572 4/20 0.42
SIGMAR1 Q99720 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CHRM3 P20309 2/20 0.41
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL26358045 0.88 CHRM3 (0.43) AKR1C3AKR1C1SLC18A3NPC1RAB9A
SCHEMBL26358036 0.84 RIPK1 (0.45) AKR1C3AKR1C1SLC18A3NPC1RAB9A
SCHEMBL10892937 0.81 AKR1C3 (0.51) AKR1C3AKR1C1SLC18A3SIGMAR1NPC1
SCHEMBL12345851 0.81 CHRM3 (0.45) AKR1C3AKR1C1CHRM3
SCHEMBL21826434 0.81 AKR1C3 (0.50) AKR1C3AKR1C1SLC18A3SIGMAR1NPC1
SCHEMBL21826495 0.81 AKR1C3 (0.50) AKR1C3AKR1C1SLC18A3SIGMAR1NPC1
SCHEMBL21826494 0.81 AKR1C3 (0.50) AKR1C3AKR1C1SLC18A3SIGMAR1NPC1
SCHEMBL21826435 0.81 AKR1C3 (0.50) AKR1C3AKR1C1SLC18A3SIGMAR1NPC1
Hydrochloric Acid SCHEMBL25263136 0.80 CHRM3 (0.42) AKR1C3AKR1C1SLC18A3NPC1RAB9A
Hydrochloric Acid SCHEMBL29006957 0.80 CHRM3 (0.42) AKR1C3AKR1C1SLC18A3NPC1RAB9A

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
US-20160349088-A1 MONITORING DEVICES AND PROCESSES BASED ON TRANSFORMATION, DESTRUCTION AND CONVERSION OF NANOSTRUCTURES PATEL GORDHANBHAI (US) 2016-12-01 US disclosed
EP-2475612-A1 MONITORING DEVICES AND PROCESSES BASED ON TRANSFORMATION, DESTRUCTION AND CONVERSION OF NANOSTRUCTURES JP LABORATORIES, INC. (US) 2012-07-18 EP disclosed
WO-2011031959-A1 MONITORING DEVICES AND PROCESSES BASED ON TRANSFORMATION, DESTRUCTION AND CONVERSION OF NANOSTRUCTURES JP LABORATORIES, INC. (US) 2011-03-17 WO disclosed
US-20110003279-A1 Monitoring devices and processes based on transformation, destruction and conversion of nanostructures PATEL GORDHANBHAI NATHALAL 2011-01-06 US disclosed