SCHEMBL1410001

SCHEMBL1410001

CCC1(OC(=O)C2CC3CCC2C3)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
POLB P06746 1/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
EPHX1 P07099 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
EPHX2 P34913 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL86073 0.99 HSD11B1 (0.43) HSD11B1POLBNPC1RAB9AHPGD
SCHEMBL13564215 0.81 HSD11B1 (0.39) HSD11B1POLBNPC1RAB9AHPGD
SCHEMBL2380585 0.80 CYP3A4 (0.36) ALDH1A1MAPTMAPK1EPHX1MEN1
SCHEMBL1105065 0.79 HSD11B1 (0.40) HSD11B1POLBNPC1RAB9AHPGD
SCHEMBL14428637 0.78
SCHEMBL15935801 0.77
SCHEMBL13943429 0.76
SCHEMBL14370456 0.75 HSD11B1 (0.43) HSD11B1POLBNPC1RAB9AHPGD
SCHEMBL2380586 0.75 PEPD (0.34) HPGDALDH1A1MAPTHSD17B10
SCHEMBL5412685 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1182188-B1 Method for producing carboxylic acid tertiary alkyl ester HONSHU CHEMICAL IND (JP) 2011-03-09 EP disclosed
US-6492542-B2 CONTINUALLY ADDING AN ESTERIFICATION AGENT POSSESSING A MONOVALENT ACID GROUP, WHICH AGENT IS ESTER-INTERCHANGEABLE WITH A TERTIARY ALCOHOL, TO A MIXED FLUID OF A CARBOXYLIC ACID AND A TERTIARY ALCOHOL HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2002-12-10 US disclosed
EP-1182188-A2 Method for producing carboxylic acid tertiary alkyl ester Honshu Chemical Industry Co., Ltd. (JP) 2002-02-27 EP disclosed