SCHEMBL1746183

SCHEMBL1746183

CC1(C)OCC(Cc2ccc([N+](=O)[O-])cc2)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
PGR P06401 2/20 0.44
NR3C1 P04150 1/20 0.44
AR P10275 1/20 0.44
KMT2A Q03164 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
TSHR P16473 1/20 0.39
KCNJ1 P48048 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
IDO1 P14902 1/20 0.38
RECQL P46063 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
SCHEMBL9156802 0.92 MAPT (0.44) TRPA1PGRNR3C1ARKMT2A
SCHEMBL8977956 0.80 ALDH1A1 (0.43) TRPA1KMT2ATMEM97SIGMAR1TSHR
SCHEMBL5093206 0.79 LOXL2 (0.50) PGRNR3C1ARKMT2ALOXL2
SCHEMBL3461796 0.79 MAPT (0.49) ALDH1A1LMNAMAPTSMN1; SMN2IDO1
SCHEMBL23146060 0.78 SIGMAR1 (0.42) KMT2ATMEM97SIGMAR1TSHRCYP1A2
SCHEMBL1747643 0.78 TMEM97 (0.42) KMT2ATMEM97SIGMAR1LOXL2TSHR
SCHEMBL1081575 0.78 TMEM97 (0.45) KMT2ATMEM97SIGMAR1ALDH1A1MAPT
SCHEMBL2458179 0.78 TMEM97 (0.42) KMT2ATMEM97SIGMAR1TSHRCYP2C9
SCHEMBL23146337 0.78 TMEM97 (0.45) TRPA1KMT2ATMEM97SIGMAR1TSHR
SCHEMBL1081573 0.78 TMEM97 (0.45) KMT2ATMEM97SIGMAR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380890-A1 New 7,8-dihydro-1,6-naphthyridin-5(6h)-one-derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-10-26 EP disclosed
US-20110253549-A1 WASHING APPARATUS AND METHOD OF DEODORIZING WASHING WATER KANNO MINORU 2011-10-20 US disclosed