SCHEMBL6990568

SCHEMBL6990568

C=CCOC(c1ccccc1)C1CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2D6 P10635 2/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
IDO1 P14902 2/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP2C19 P33261 1/20 0.33
MLNR O43193 1/20 0.33
ADRB2 P07550 1/20 0.33
HTR2C P28335 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
Chlorobenzene SCHEMBL27657978 0.93 CYP2D6 (0.37) MEN1KMT2ACYP2D6SLC6A2SLC6A4
SCHEMBL17375754 0.80 IDO1 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL17375753 0.80 IDO1 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL4460887 0.78 IDO1 (0.38) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL1170735 0.77 TDP1 (0.49) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL11295933 0.75 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL28184514 0.75 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4E
SCHEMBL9589101 0.75 MEN1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL151181 0.75 IDO1 (0.44) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL3687682 0.75 IDO1 (0.44) SLC6A2SLC6A4SLC6A3CHRM2CHRM1

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-6656252-B2 Polymer separation membrane DAISO CO., LTD. (JP) 2003-12-02 US claimed
US-20030110947-A1 Polymer separation membrane RENESAS TECHNOLOGY CORP. (JP) 2003-06-19 US claimed
EP-0470788-B1 Synthetic lubricating oil NIPPON OIL CO LTD (JP) 1994-04-13 EP disclosed
EP-0470788-A1 Synthetic lubricating oil Nippon Oil Co., Ltd. (JP) 1992-02-12 EP disclosed