SCHEMBL3315076

SCHEMBL3315076

CC(=O)C(=Cc1ccccc1)[n+]1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
RECQL P46063 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.42
FBP1 P09467 1/20 0.42
GLA P06280 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
AKR1C1 Q04828 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM1A O60341 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2532810 0.71 AKR1C3 (0.75) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL3984746 0.71 AKR1C3 (0.61) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL8625481 0.71 TSHR (0.40) AKR1C3ALDH1A1TSHRFBP1AKR1C1
SCHEMBL805622 0.71 AKR1C3 (0.75) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL979463 0.71 ALDH1A1 (0.67) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL28273258 0.71 AKR1C3 (0.61) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL8522683 0.71 AKR1C3 (0.61) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL874087 0.71 AKR1C3 (0.75) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL18264401 0.70 AKR1C3 (0.59) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL11007893 0.70 AKR1C3 (0.59) AKR1C3RECQLALDH1A1TSHRHTT

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-20150114296-A1 LOW PRESSURE VAPOR PHASE DEPOSITION OF ORGANIC THIN FILMS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-04-30 US disclosed
US-20100104753-A1 LOW PRESSURE VAPOR PHASE DEPOSITION OF ORGANIC THIN FILMS FORREST STEPHEN R 2010-04-29 US disclosed
US-6558736-B2 Vapor deposition in vacuum THE TRUSTEES OF PRINCETON UNIVERSITY 2003-05-06 US disclosed
US-6337102-B1 PROVIDING A FIRST CARRIER GAS STREAM; VOLATILIZING A FIRST ORGANIC SMALL MOLECULE MATERIAL INTO THE FIRST CARRIER GAS STREAM; PASSING THE FIRST CARRIER GAS STREAM THROUGH AN APPARATUS; PASSING GAS STREAM OVER SUBSTRATE; DEPOSITING THE TRUSTEES OF PRINCETON UNIVERSITY 2002-01-08 US disclosed