SCHEMBL6905348

SCHEMBL6905348

O=CCCCC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
KDM4E B2RXH2 1/20 0.63
CTNNB1 P35222 9/20 0.62
WNT3A P56704 8/20 0.62
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
HPGD P15428 2/20 0.56
MAOB P27338 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPK1 P28482 1/20 0.53
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
KLF5 Q13887 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL19287097 0.91 PKM (0.68) ALDH1A1CTNNB1WNT3APKMTSHR
SCHEMBL15162004 0.82 ALDH1A1 (0.70) ALDH1A1KDM4ECTNNB1WNT3AHPGD
SCHEMBL7422841 0.82 ALDH1A1 (0.66) ALDH1A1KDM4ECTNNB1WNT3APKM
SCHEMBL5207347 0.82 PKM (0.72) ALDH1A1CTNNB1WNT3APKMTSHR
SCHEMBL15331533 0.81 CTNNB1 (0.60) ALDH1A1KDM4ECTNNB1WNT3APKM
SCHEMBL7385092 0.81 ALDH1A1 (0.64) ALDH1A1KDM4ECTNNB1WNT3APKM
SCHEMBL15272906 0.81 ALDH1A1 (0.68) ALDH1A1KDM4ECTNNB1WNT3AHPGD
SCHEMBL10961709 0.80 CTNNB1 (0.71) ALDH1A1KDM4ECTNNB1WNT3APKM
SCHEMBL16429605 0.79 ALDH1A1 (0.67) ALDH1A1KDM4ECTNNB1WNT3AHPGD
SCHEMBL15273098 0.79 ALDH1A1 (0.67) ALDH1A1KDM4ECTNNB1WNT3AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303662-B1 Microemulsion TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-10-16 US claimed
EP-0988858-A1 MICROEMULSION TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-03-29 EP claimed
US-5194264-A Insecticides and miticides with pyrethoids, amidines, chlormethiuron, cyromazine and s-methoprene in solvents SCIENTIFIC CHEMICALS (PROPRIETARY) LIMITED (ZA) 1993-03-16 US claimed
EP-1211938-B1 TERPENE BASED PESTICIDE TREATMENTS FOR KILLING TERRESTRIAL ARTHROPODS INCLUDING, AMONGST OTHERS, LICE, LICE EGGS, MITES AND ANTS EDEN RESEARCH PLC (GB) 2004-11-10 EP disclosed
EP-1211938-A4 TERPENE BASED PESTICIDE TREATMENTS FOR KILLING TERRESTRIAL ARTHROPODS INCLUDING, AMONGST OTHERS, LICE, LICE EGGS, MITES AND ANTS XIMED GROUP PLC (GB) 2002-09-11 EP disclosed
EP-1211938-A1 TERPENE BASED PESTICIDE TREATMENTS FOR KILLING TERRESTRIAL ARTHROPODS INCLUDING, AMONGST OTHERS, LICE, LICE EGGS, MITES AND ANTS Ximed Group plc (GB) 2002-06-12 EP disclosed
WO-2001013726-A1 TERPENE BASED PESTICIDE TREATMENTS FOR KILLING TERRESTRIAL ARTHROPODS INCLUDING, AMONGST OTHERS, LICE, LICE EGGS, MITES AND ANTS XIMED GROUP PLC (GB) 2001-03-01 WO disclosed
US-6130253-A Terpene based pesticide treatments for killing terrestrial arthropods including, amongst others, lice, lice eggs, mites and ants XIMED GROUP PLC 2000-10-10 US disclosed
US-5599803-A Synergistic insecticidal compositions comprising capsicum and insecticidal use thereof KALAMAZOO HOLDINGS, INC. (US) 1997-02-04 US disclosed
US-5525597-A Synergistic insecticidal compositions comprising capsicum and insecticidal use thereof KALAMAZOO HOLDINGS, INC. (US) 1996-06-11 US disclosed