SCHEMBL28103157

SCHEMBL28103157

CCCCCCN.NNC(=O)NN

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.59
EPHX1 P07099 5/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
SLC6A5 Q9Y345 2/20 0.45
PAOX Q6QHF9 1/20 0.43

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
Hexadecane SCHEMBL10708387 0.91 EPHX1 (0.54) EPHX1MEN1KMT2AALDH1A1TSHR
Dodecane SCHEMBL15418956 0.91 EPHX1 (0.54) EPHX1MEN1KMT2AALDH1A1TSHR
Hexane SCHEMBL27520164 0.88 EPHX1 (0.50) EPHX1MEN1KMT2AALDH1A1TSHR
Octadecylamine SCHEMBL9007165 0.86 DNM1 (0.59) DNM1EPHX1MEN1KMT2AALDH1A1
Propylamine SCHEMBL27804576 0.83 CTSD (0.48) EPHX1MEN1KMT2AALDH1A1TSHR
Pentane SCHEMBL27451503 0.83 ALOX15 (0.48) EPHX1ALDH1A1TSHR
SCHEMBL29084572 0.81 SLC6A5 (0.57) DNM1EPHX1MEN1KMT2AALDH1A1
Bicarbonate SCHEMBL25295699 0.80 DNM1 (0.72) DNM1EPHX1MEN1KMT2AALDH1A1
Bicarbonate SCHEMBL25295700 0.80 DNM1 (0.72) DNM1EPHX1MEN1KMT2AALDH1A1
Dodecylamine SCHEMBL10615088 0.80 DNM1 (0.72) DNM1EPHX1MEN1KMT2AALDH1A1

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
CN-106010140-A Weather-proof hydrophobic coating for plastic pipe surface 安徽正石新型建材有限公司 2016-10-12 CN claimed
CN-106010140-A Weather-proof hydrophobic coating for plastic pipe surface 安徽正石新型建材有限公司 2016-10-12 CN disclosed