SCHEMBL7645459

SCHEMBL7645459

OCCOc1ccccc1-c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 6/20 0.54
HTR1D P28221 2/20 0.54
TNF P01375 1/20 0.52
IDO1 P14902 1/20 0.49
KCNA3 P22001 1/20 0.47
SLC6A9 P48067 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PDE5A O76074 1/20 0.46
LMNA P02545 1/20 0.45
SLC6A4 P31645 1/20 0.45
HRH1 P35367 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
ENPP1 P22413 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL30660575 0.88 IDO1 (0.60) HTR1BHTR1DIDO1KCNA3SLC6A9
SCHEMBL26153495 0.88 SLC6A9 (0.49) HTR1BHTR1DTNFIDO1KCNA3
SCHEMBL1023529 0.85 HTR1B (0.70) HTR1BHTR1DIDO1KCNA3KDM4E
SCHEMBL27113961 0.85 IDO1 (0.49) HTR1BHTR1DTNFIDO1KCNA3
SCHEMBL1938309 0.85 TP53 (0.57) IDO1KDM4EMEN1KMT2AALDH1A1
SCHEMBL31443109 0.84 IDO1 (0.47) HTR1BHTR1DTNFIDO1KCNA3
SCHEMBL28711978 0.84 IDO1 (0.47) HTR1BHTR1DTNFIDO1KCNA3
SCHEMBL5161287 0.84 HTR1B (0.68) HTR1BHTR1DIDO1KCNA3KDM4E
SCHEMBL5161278 0.84 HTR1B (0.68) HTR1BHTR1DIDO1KCNA3KDM4E
SCHEMBL28075369 0.83 HTR1B (0.54) HTR1BHTR1DKCNA3SLC6A4HRH1

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
US-6476258-B1 Process for producing aryloxyacetic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-05 US disclosed
EP-1067108-A2 Process for producing aryloxyacetic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed