SCHEMBL6895294

SCHEMBL6895294

CCCCCCCCCCCCCCCCCCNC(C)CNC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.52
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR5 Q9H228 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
ADH4 P08319 2/20 0.37
ADH7 P40394 2/20 0.37
THRB P10828 1/20 0.35

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
SCHEMBL23988680 1.00 EPHX1 (0.52) EPHX1TSHRALDH1A1S1PR2S1PR4
SCHEMBL6897017 1.00 EPHX1 (0.52) EPHX1TSHRALDH1A1S1PR2S1PR4
SCHEMBL19413614 0.91 KMT2A (0.39) EPHX1TSHRALDH1A1MEN1KMT2A
SCHEMBL11520580 0.83 TSHR (0.50) EPHX1TSHRALDH1A1S1PR2S1PR4
SCHEMBL12330644 0.81
SCHEMBL29940273 0.81 TSHR (0.42) EPHX1TSHRALDH1A1MEN1KMT2A
SCHEMBL7088379 0.80 TSHR (0.52) EPHX1TSHRALDH1A1S1PR2S1PR4
SCHEMBL7770667 0.79 EPHX1 (0.46) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL25122655 0.79 EPHX1 (0.46) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL21808586 0.79 EPHX1 (0.46) EPHX1TSHRALDH1A1ADH1BADH1C

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-0886551-B1 STABILITY CONTROL AGENT COMPOSITION FOR POLYOLEFIN FOAM KNAUS DENNIS A (US) 2004-08-04 EP claimed