SCHEMBL19412975

SCHEMBL19412975

CCC(C)C(C)CC(c1ccccc1)C(C)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
MMP15 P51511 1/20 0.39
MMP16 P51512 1/20 0.39
MMP26 Q9NRE1 1/20 0.39
ACE P12821 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39

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
SCHEMBL21216893 0.82 ACE (0.43) LMNAPOLBMEN1KMT2AHSD17B10
SCHEMBL22648698 0.79 TRPA1 (0.49) LMNAMEN1KMT2AHSD17B10ACE
SCHEMBL10903498 0.78 GABBR2 (0.44) FFAR1GABBR2GABBR1CYP2C19
SCHEMBL19412907 0.76 TRPA1 (0.45) LMNAPOLBMEN1KMT2AHSD17B10
SCHEMBL22062330 0.76 TAAR1 (0.41) LMNAMEN1KMT2AHSD17B10ACE
SCHEMBL27580075 0.75 MEN1 (0.44) FFAR1LMNAMEN1KMT2AHSD17B10
SCHEMBL25152385 0.73 TAAR1 (0.55) FFAR1GABBR2GABBR1LMNAMEN1
SCHEMBL1234229 0.73 TAAR1 (0.55) FFAR1GABBR2GABBR1LMNAMEN1
SCHEMBL25152144 0.73 TAAR1 (0.55) FFAR1GABBR2GABBR1LMNAMEN1
SCHEMBL4450115 0.73 HRH1 (0.47) LMNAPOLBMEN1KMT2AADRA2A

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-9776208-B2 Brush composition, and method of producing structure containing phase-separated structure TOKYO OHKA KOGYO CO., LTD. (JP) 2017-10-03 US disclosed