SCHEMBL10001673

SCHEMBL10001673

CCCC(O)COCCOCC(O)CNC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.39
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
CASR P41180 2/20 0.35
POLB P06746 1/20 0.35
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33

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
SCHEMBL10001671 0.88 KDM4E (0.48) KDM4EALOX15HSD17B10USP2HTT
SCHEMBL25602364 0.82 USP2 (0.53) KDM4EALOX15HSD17B10CYP1A2CYP3A4
SCHEMBL13678875 0.82 USP2 (0.53) KDM4EALOX15HSD17B10CYP1A2CYP3A4
SCHEMBL10513780 0.81 HSD17B10 (0.61) KDM4EALOX15HSD17B10CYP1A2CYP3A4
SCHEMBL8016289 0.81 HSD17B10 (0.61) KDM4EALOX15HSD17B10CYP1A2CYP3A4
SCHEMBL8016294 0.81 HSD17B10 (0.61) KDM4EALOX15HSD17B10CYP1A2CYP3A4
SCHEMBL27322291 0.81 USP2 (0.61) KDM4EALOX15HSD17B10CYP1A2CYP3A4
SCHEMBL8595022 0.79 USP2 (0.65) KDM4EALOX15CYP1A2CYP3A4CYP2C19
SCHEMBL9127025 0.79 USP2 (0.65) KDM4EALOX15CYP1A2CYP3A4CYP2C19
SCHEMBL10788227 0.79 USP2 (0.65) KDM4EALOX15CYP1A2CYP3A4CYP2C19

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-8505743-B2 Surface modification of polyamide reverse osmosis membranes MICHIGAN MOLECULAR INSTITUTE (US) 2013-08-13 US disclosed
US-20120024789-A1 Surface Modification of Polyamide Reverse Osmosis Membranes MICHIGAN MOLECULAR INSTITUTE (US) 2012-02-02 US disclosed