SCHEMBL11344895

SCHEMBL11344895

CCC(CC)(OCc1ccccc1Cl)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
PNMT P11086 1/20 0.33
GAA P10253 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
SCHEMBL11389357 0.87 KMT2A (0.34) HPGDMEN1KMT2AMAOBALDH1A1
SCHEMBL31742092 0.73 MAPT (0.44) HPGDALDH1A1KDM4ETSHRMAPT
SCHEMBL5149643 0.72 MAPT (0.40) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL13603792 0.70 IDO1 (0.55) IDO1HPGDMAOBMAOAALDH1A1
SCHEMBL11353218 0.68 IDO1 (0.41) IDO1HPGDMEN1KMT2AMAOB
SCHEMBL8762708 0.67 IDO1 (0.67) IDO1HPGDMAOBMAOALMNA
SCHEMBL11347690 0.66 IDO1 (0.42) IDO1HPGDMEN1KMT2AMAOB
SCHEMBL11633682 0.65 IDO1 (0.48) IDO1HPGDMAOBMAOAALDH1A1
SCHEMBL6507641 0.64 IDO1 (0.57) IDO1MEN1KMT2AMAOBMAOA
SCHEMBL9503379 0.64 IDO1 (0.61) IDO1HPGDMAOBMAOALMNA

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
EP-0000002-B1 TETRAHYDROFURANE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-08-26 EP disclosed
EP-0000002-A1 Tetrahydrofurane derivatives, processes for their preparation and their use as herbicides BAYER AG (DE) 1978-12-20 EP disclosed