SCHEMBL7744629

SCHEMBL7744629

CC(CNCc1ccccc1O)NCc1ccccc1O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
MAPK1 P28482 1/20 0.62
TSHR P16473 2/20 0.60
CYP2D6 P10635 1/20 0.60
HIF1A Q16665 1/20 0.60
CA12 O43570 6/20 0.56
CA2 P00918 6/20 0.56
CA9 Q16790 5/20 0.53
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MPO P05164 6/20 0.51
PKM P14618 1/20 0.50
SLC6A4 P31645 1/20 0.49

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
SCHEMBL14580319 0.84 TSHR (0.67) POLBMAPK1TSHRCYP2D6HIF1A
SCHEMBL11977377 0.84 TSHR (0.67) POLBMAPK1TSHRCYP2D6HIF1A
SCHEMBL18756245 0.84 TSHR (0.67) POLBMAPK1TSHRCYP2D6HIF1A
SCHEMBL13133346 0.82 POLB (0.66) POLBMAPK1TSHRCYP2D6HIF1A
SCHEMBL172673 0.82 POLB (0.66) POLBMAPK1TSHRCYP2D6HIF1A
SCHEMBL13257871 0.82 POLB (0.66) POLBMAPK1TSHRCYP2D6HIF1A
SCHEMBL19091174 0.82 POLB (0.66) POLBMAPK1TSHRCYP2D6HIF1A
SCHEMBL170949 0.82 POLB (0.66) POLBMAPK1TSHRCYP2D6HIF1A
SCHEMBL13995964 0.81 POLB (0.69) POLBMAPK1TSHRCYP2D6HIF1A
SCHEMBL13995868 0.81 POLB (0.69) POLBMAPK1TSHRCYP2D6HIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104371801-A High-universality compound cutting oil for protecting metal chamfer and preparation method thereof ANHUI RONGDA VALVE CO LTD 2015-02-25 CN disclosed
CN-102604690-A Environment-friendly fuel for novel automobile and preparation method of the environment-friendly fuel CHANGSHENG ZHANG 2012-07-25 CN disclosed
WO-2001014053-A1 CATALYTIC SYSTEM AND METHOD FOR REDUCING PERCHLORATE ION GEORGETOWN UNIVERSITY (US) 2001-03-01 WO disclosed
US-4129556-A N,N'-BIS-(2-HYDROXYBENZYL)-ALKYLENE-DIAMINES, N,N'-BIS-(2-HYDROXYBENZYL)-ARYLENE-DIAMINES CIBA-GEIGY CORPORATION (US) 1978-12-12 US disclosed