SCHEMBL11117724

SCHEMBL11117724

O=C(OOC(=O)[C@@H](O)C1CCCC1)C(O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.39
TP53 P04637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
THRB P10828 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL15821270 0.83 EPHX1 (0.38) EPHX1TP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL15820587 0.81 EPHX1 (0.41) EPHX1TP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL14045008 0.81 THRB (0.46) EPHX1TP53ALDH1A1SMN1; SMN2ADRB2
SCHEMBL6592409 0.79 TP53 (0.47) EPHX1TP53ALDH1A1SMN1; SMN2THRB
SCHEMBL21694414 0.79 EPHX1 (0.44) EPHX1
SCHEMBL3996792 0.79 TP53 (0.47) EPHX1TP53ALDH1A1SMN1; SMN2THRB
SCHEMBL15822604 0.78 EPHX1 (0.33) EPHX1THRB
SCHEMBL28755738 0.76 THRB (0.46) TP53ALDH1A1SMN1; SMN2THRB
SCHEMBL2256208 0.76 ALDH1A1 (0.53) ALDH1A1KDM4ETHRB
SCHEMBL5173261 0.76 EPHX1 (0.38) EPHX1TP53ALDH1A1

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-0103099-A2 Beta-hydroxycyclopentylperoxide compounds and the use thereof NIPPON OIL CO. LTD. (JP) 1984-03-21 EP disclosed