SCHEMBL9528443

SCHEMBL9528443

CCCCCNCCCCCC=C1C(=O)ON=C1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 2/20 0.36
TYR P14679 1/20 0.35
KDM4E B2RXH2 1/20 0.35
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
EPHX2 P34913 1/20 0.34
S1PR2 O95136 2/20 0.33
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 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
SCHEMBL9529501 0.91 KMT2A (0.41) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL9529497 0.91 KMT2A (0.41) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL9533250 0.90 KMT2A (0.42) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL9533245 0.90 KMT2A (0.42) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL8798952 0.81 ADH1B (0.42) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL8798485 0.81 ADH1B (0.42) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL25093179 0.69 TSHR (0.76) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL25093248 0.69 TSHR (0.76) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL25274699 0.69 TSHR (0.76) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL3022776 0.69 TSHR (0.76) EPHX1ADH1BADH1CADH1AADH4

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-0532725-A1 LIGHT SCREENING AGENT. GIVAUDAN ROURE INT (CH) 1993-03-24 EP claimed
WO-1992017461-A1 LIGHT SCREENING AGENT GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1992-10-15 WO claimed