SCHEMBL7594583

SCHEMBL7594583

O=C(CC12CCC(CC1)C2)OO

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
BPTF Q12830 1/20 0.31
EPHX2 P34913 1/20 0.31
MAPT P10636 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
POLB P06746 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
SCHEMBL7082780 0.78 ALDH1A1 (0.34) ALDH1A1THRBKDM4EHPGDLMNA
SCHEMBL189533 0.77 POLB (0.48) ALDH1A1KDM4EHPGDLMNACYP2C19
SCHEMBL7412340 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDLMNAGAA
SCHEMBL3716616 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL418818 0.71 KDM4E (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL25382767 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL5491237 0.69 KDM4E (0.31) KDM4EHPGD
SCHEMBL10358421 0.68 MEN1 (0.37) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL25382769 0.68 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL1947947 0.67 P2RX7 (0.51) ALDH1A1KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588622-B2 Bleach composition UNILEVER PLC (GB) 2002-12-04 EP disclosed
EP-0588622-B1 Bleach composition UNILEVER PLC (GB) 1999-02-17 EP disclosed
US-5409633-A Hydrophobic norbornane peroxy acids LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1995-04-25 US disclosed
EP-0588622-A1 Bleach composition UNILEVER PLC (GB) 1994-03-23 EP disclosed