SCHEMBL7303879

SCHEMBL7303879

CCCOc1ccc(OCCC)c(OCCC)c1[O]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ ATM Q13315 1/20 0.43

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
SCHEMBL7308195 0.90 LMNA (0.48) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL7305114 0.78 CYP2A6 (0.50) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL2043221 0.76 CHRM2 (0.49) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL8557526 0.76 LMNA (0.62) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL5034245 0.75 CSNK2A1 (0.43) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL4961151 0.75 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL1835382 0.73 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL29712151 0.73 ALDH1A1 (0.42) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL8220033 0.73 ALDH1A1 (0.44) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL2686471 0.73 ALDH1A1 (0.42) KDM4EALDH1A1LMNAHPGDMEN1

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-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 — — US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 — — EP disclosed
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