SCHEMBL21660875

SCHEMBL21660875

CCC(C)c1ccc(N(c2ccc(NC(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.42
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14169335 0.89 GRIA4 (0.46) GRIA4TSHRCYP2C9ALDH1A1GAA
SCHEMBL12675624 0.89 GRIA4 (0.46) GRIA4TSHRCYP2C9ALDH1A1GAA
SCHEMBL21660798 0.85 TSHR (0.39) GRIA4TSHRNPSR1CYP2C9MAPT
SCHEMBL12657333 0.84 GRIA4 (0.43) GRIA4TSHRCYP2C9ALDH1A1GAA
SCHEMBL14934700 0.84 GRIA4 (0.43) GRIA4TSHRCYP2C9ALDH1A1HSD17B10
SCHEMBL14592658 0.84 GRIA4 (0.43) GRIA4TSHRCYP2C9ALDH1A1HSD17B10
SCHEMBL18812295 0.84 TSHR (0.50) TSHRNPSR1CYP2C9MAPTALDH1A1
SCHEMBL15458102 0.83 TSHR (0.48) GRIA4TSHRCYP2C9MAPTALDH1A1
SCHEMBL13354741 0.82 GRIA4 (0.41) GRIA4TSHRCYP2C9MAPTALDH1A1
SCHEMBL548052 0.80 GRIA4 (0.53) GRIA4TSHRCYP2C9ALDH1A1GAA

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
WO-2020027014-A1 POLYMER AND USE OF SAME 日産化学株式会社 2020-02-06 WO disclosed