SCHEMBL5961385

SCHEMBL5961385

CCCCOC(=O)C(C)(C)CC(CC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 3/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL17403417 0.90 CHRM2 (0.40) TDP1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL19320571 0.88 ESR1 (0.49) TSHRTDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL5961381 0.87 RIPK1 (0.40) L3MBTL1SMN1; SMN2LMNAALDH1A1CYP3A4
SCHEMBL12554993 0.86 L3MBTL1 (0.40) TSHRTDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL14448189 0.86 TSHR (0.39) TSHRTDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL5961384 0.86 TSHR (0.43) TSHRL3MBTL1SMN1; SMN2LMNAALDH1A1
SCHEMBL25548120 0.86 TSHR (0.45) TSHRTDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL5961369 0.85 PIN1 (0.46) TSHRL3MBTL1SMN1; SMN2LMNANPC1
SCHEMBL17403421 0.84 CYP1A2 (0.45) L3MBTL1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL14168896 0.84 MMP8 (0.39) TSHRTDP1SMN1; SMN2ALDH1A1CYP3A4

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
US-8168694-B2 Ink composition, ink set, ink for inkjet recording, ink set for inkjet recording, and ink cartridge for inkjet recording FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed
US-20110152925-A1 Skin Preparation That Immobilizes Bacteria KIMBERLY-CLARK WORLDWIDE, INC. 2011-06-23 US disclosed