SCHEMBL1629856

SCHEMBL1629856

CC(=Cc1ccccc1)C(=O)N(O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.64
DHODH Q02127 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
HTT P42858 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RECQL P46063 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
FBP1 P09467 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
F2 P00734 1/20 0.43
GAA P10253 1/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL835549 0.83 AKR1C3 (0.58) AKR1C3DHODHTRPM8HTTALDH1A1
SCHEMBL835548 0.83 AKR1C3 (0.58) AKR1C3DHODHTRPM8HTTALDH1A1
SCHEMBL2638459 0.81 AKR1C3 (0.66) AKR1C3DHODHTRPM8HTTALDH1A1
SCHEMBL37034 0.79 AKR1C3 (1.00) AKR1C3DHODHTRPM8HTTALDH1A1
SCHEMBL759656 0.79 AKR1C3 (0.75) AKR1C3DHODHTRPM8HTTALDH1A1
SCHEMBL41906 0.79 AKR1C3 (1.00) AKR1C3DHODHTRPM8HTTALDH1A1
SCHEMBL805622 0.79 AKR1C3 (0.75) AKR1C3DHODHTRPM8HTTALDH1A1
SCHEMBL2532810 0.79 AKR1C3 (0.75) AKR1C3DHODHTRPM8HTTALDH1A1
SCHEMBL759655 0.79 AKR1C3 (0.75) AKR1C3DHODHTRPM8HTTALDH1A1
SCHEMBL874087 0.79 AKR1C3 (0.75) AKR1C3DHODHTRPM8HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
US-20110089114-A1 PROCESS FOR ABSORBING AND ADSORBING OIL DEGRADATION PRODUCTS FROM LUBRICATING OILS LIVINGSTONE GREGORY J 2011-04-21 US disclosed
WO-2010121042-A1 PROCESS FOR ABSORBING AND ADSORBING OIL DEGRADATION PRODUCTS FROM LUBRICATING OILS FLUITEC INTERNATIONAL (US) 2010-10-21 WO disclosed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed