SCHEMBL30121679

SCHEMBL30121679

C=CC(=O)OCCNC(=O)NCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.59
TSHR P16473 2/20 0.59
HPGD P15428 1/20 0.59
ZDHHC20 Q5W0Z9 1/20 0.56
ZDHHC2 Q9UIJ5 1/20 0.56
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
EPHX2 P34913 7/20 0.47

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
SCHEMBL13032966 1.00 EPHX1 (0.59) EPHX1TSHRHPGDZDHHC20ZDHHC2
SCHEMBL8028192 1.00 EPHX1 (0.59) EPHX1TSHRHPGDZDHHC20ZDHHC2
SCHEMBL13032961 0.94 TSHR (0.62) EPHX1TSHRHPGDZDHHC20ZDHHC2
SCHEMBL12570765 0.92 TSHR (0.59) EPHX1TSHRHPGDZDHHC20ZDHHC2
SCHEMBL10093592 0.88 TSHR (0.50) EPHX1TSHRHPGDZDHHC20ZDHHC2
SCHEMBL3256143 0.87 TSHR (0.56) EPHX1TSHRHPGDZDHHC20ZDHHC2
SCHEMBL16384955 0.85 TSHR (0.70) EPHX1TSHRHPGDZDHHC20ZDHHC2
SCHEMBL5663537 0.85 TSHR (0.56) EPHX1TSHRHPGDZDHHC20ZDHHC2
SCHEMBL18094738 0.84 ACHE (0.64) EPHX1TSHRHPGDZDHHC20ZDHHC2
SCHEMBL8014074 0.84 ACHE (0.64) EPHX1TSHRHPGDZDHHC20ZDHHC2

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-4317213-A1 OIL-RESISTANT COMPOUND CONTAINING HYDROGEN BINDING SITE DAIKIN INDUSTRIES, LTD. (JP) 2024-02-07 EP disclosed
WO-2022211135-A1 OIL-RESISTANT COMPOUND CONTAINING HYDROGEN BINDING SITE ダイキン工業株式会社 2022-10-06 WO disclosed