SCHEMBL8764099

SCHEMBL8764099

[Li]c1c(OCC)cccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
L3MBTL1 Q9Y468 5/20 0.44
AR P10275 1/20 0.43
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CTSS P25774 1/20 0.40
PDK2 Q15119 1/20 0.40
TRPA1 O75762 1/20 0.40
GRM5 P41594 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL6946500 0.81 ALDH1A1 (0.50) KCNK3KCNK9L3MBTL1ARHPGD
SCHEMBL31035275 0.81 ALDH1A1 (0.50) KCNK3KCNK9L3MBTL1ARHPGD
SCHEMBL12299460 0.80 KCNK3 (0.47) KCNK3KCNK9L3MBTL1ARHPGD
SCHEMBL8764659 0.79 MAOB (0.44) ARHPGDALDH1A1KDM4EMAPT
SCHEMBL4519601 0.79 KCNK3 (0.46) KCNK3KCNK9L3MBTL1ARHPGD
SCHEMBL12299468 0.79 MRGPRX4 (0.51) KCNK3KCNK9L3MBTL1ARHPGD
SCHEMBL31037146 0.79 KCNK3 (0.46) KCNK3KCNK9L3MBTL1ARHPGD
SCHEMBL11835402 0.78 KCNK3 (0.43) KCNK3KCNK9L3MBTL1ARHPGD
SCHEMBL11712427 0.76 KCNK3 (0.44) KCNK3KCNK9L3MBTL1ARHPGD
SCHEMBL18723280 0.75 L3MBTL1 (0.50) KCNK3KCNK9L3MBTL1ARHPGD

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
EP-0511826-B1 Phosphosulfonate herbicides ROHM & HAAS (US) 1997-07-16 EP disclosed
US-5500405-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1996-03-19 US disclosed
US-5272128-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1993-12-21 US disclosed
EP-0511826-A2 Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1992-11-04 EP disclosed