SCHEMBL8477404

SCHEMBL8477404

OCCc1[c]ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
BACE1 P56817 2/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
BCL2L1 Q07817 1/20 0.32
RECQL P46063 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
HNF4A P41235 1/20 0.30

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
SCHEMBL8473979 0.84 DHFR (0.34) ALDH1A1HPGDHSD17B10MAPT
SCHEMBL8474671 0.83 BACE1 (0.33) BACE1
SCHEMBL15550742 0.80 DHFR (0.43)
SCHEMBL8477966 0.80 DHFR (0.38) BACE1LMNAMAPTHTTPDCD1
SCHEMBL8480981 0.79 PTGS2 (0.46) BACE1HDAC4HDAC2HDAC8
SCHEMBL1403616 0.79 ACMSD (0.41) TDP1BACE1ALDH1A1MAPT
SCHEMBL11040917 0.79 CALM1 (0.38) TDP1ALDH1A1HPGDLMNAMAPT
SCHEMBL4569916 0.75 TDP1 (0.31) TDP1
SCHEMBL8497176 0.73 BACE1 (0.43) BACE1ALDH1A1HPGDHSD17B10HDAC4
SCHEMBL7464716 0.71 GCGR (0.38) ALDH1A1HPGDLMNAMAPTHTT

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
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed