SCHEMBL985386

SCHEMBL985386

CC1CCC(OC(=O)C(Cl)(Cl)Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.39
CHRM3 P20309 2/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL13811600 0.81 CYP19A1 (0.40) CYP19A1CHRM3ALDH1A1NPC1LMNA
SCHEMBL995834 0.81 CYP19A1 (0.40) CYP19A1CHRM3ALDH1A1NPC1LMNA
SCHEMBL995833 0.81 CYP19A1 (0.40) CYP19A1CHRM3ALDH1A1NPC1LMNA
SCHEMBL985072 0.80 CYP19A1 (0.42) CYP19A1CHRM3SMN1; SMN2EPHX1
SCHEMBL22451712 0.79
SCHEMBL988043 0.78 EPHX1 (0.45) CYP19A1NPC1RAB9ASMN1; SMN2EPHX1
SCHEMBL6112267 0.76 CYP19A1 (0.42) CYP19A1ALDH1A1NPC1LMNAMAPT
SCHEMBL134211 0.76 CYP19A1 (0.42) CYP19A1ALDH1A1NPC1LMNAMAPT
SCHEMBL9723253 0.75 CYP19A1 (0.44) CYP19A1ALDH1A1NPC1LMNAMAPT
SCHEMBL14991180 0.75 CYP19A1 (0.44) CYP19A1ALDH1A1NPC1LMNAMAPT

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