SCHEMBL10444501

SCHEMBL10444501

OCC1(c2ccccc2)OC1c1ccccc1Br

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
SLC6A2 P23975 2/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM1A O60341 3/20 0.33
RCOR1 Q9UKL0 1/20 0.33
RAB9A P51151 2/20 0.32
HDAC4 P56524 1/20 0.32
NPC1 O15118 1/20 0.32
PTGS2 P35354 1/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10444517 0.81 PTGS2 (0.38) HTR2CHTR2BHTR2ATDP1ALDH1A1
SCHEMBL10444572 0.81 KCNN4 (0.39) HTR2CHTR2BTDP1ALDH1A1KDM1A
SCHEMBL3720341 0.78 PTGS2 (0.45) HTR2CHTR2BHTR2ASLC6A4TDP1
SCHEMBL8993540 0.78 PTGS2 (0.45) HTR2CHTR2BHTR2ASLC6A4TDP1
SCHEMBL11003541 0.78 PTGS2 (0.45) HTR2CHTR2BHTR2ASLC6A4TDP1
SCHEMBL9660946 0.77 HTR2C (0.39) HTR2CHTR2BTDP1GAA
SCHEMBL9660954 0.77 HTR2C (0.39) HTR2CHTR2BTDP1GAA
SCHEMBL9660957 0.77 HTR2C (0.39) HTR2CHTR2BTDP1GAA
SCHEMBL10444313 0.72 KCNN4 (0.41) HTR2CHTR2BTDP1KDM1ARCOR1
SCHEMBL9725042 0.70 KCNN4 (0.32) HTR2CHTR2BSLC6A2HTR2ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379081-A2 Process for the preparation of 1-hydroxymethyl oxiranes Z-substituted in position 2 BASF Aktiengesellschaft (DE) 1990-07-25 EP disclosed