SCHEMBL7736360

SCHEMBL7736360

CCC(Nc1ccccc1NC(CC)OC)OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
IDO1 P14902 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 3/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL7736366 0.81 L3MBTL1 (0.36) TSHRIDO1L3MBTL1KDM4EKMT2A
SCHEMBL11639501 0.81 TDP1 (0.46) TSHRL3MBTL1KMT2ACYP3A4ALDH1A1
SCHEMBL7736357 0.77 ALDH1A1 (0.50) TSHRL3MBTL1KDM4EKMT2ACYP3A4
SCHEMBL8793325 0.73 IDO1 (0.49) IDO1L3MBTL1KDM4EKMT2AGLA
SCHEMBL11021100 0.72 MEN1 (0.51) IDO1L3MBTL1KDM4EKMT2ACYP3A4
SCHEMBL29385988 0.70 TSHR (0.58) TSHRIDO1L3MBTL1KMT2ACYP3A4
SCHEMBL48533 0.70 TSHR (0.58) TSHRIDO1L3MBTL1KMT2ACYP3A4
SCHEMBL7734444 0.70 TDP1 (0.37) TSHRIDO1L3MBTL1KDM4EKMT2A
SCHEMBL11792666 0.69 SIGMAR1 (0.48) IDO1L3MBTL1KDM4EKMT2ACYP3A4
SCHEMBL11544671 0.68 CYP1A2 (0.41) L3MBTL1KMT2AALDH1A1TP53TDP1

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
US-6399272-B1 Phenylenediamine derivative-type additive useful for a chemically amplified photoresist HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-06-04 US disclosed