SCHEMBL4192038

SCHEMBL4192038

CCCCCCCC(CCCCC)OC(=O)c1ccccc1C(=O)OC(CCCCC)CCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
PRSS1 P07477 1/20 0.60
PRSS2 P07478 1/20 0.60
PRSS3 P35030 1/20 0.60
TSHR P16473 6/20 0.58
LMNA P02545 3/20 0.58
CYP3A4 P08684 4/20 0.56
MAPK1 P28482 2/20 0.56
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CA2 P00918 1/20 0.51
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45

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
SCHEMBL8432037 1.00 ALDH1A1 (0.67) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL1191615 1.00 ALDH1A1 (0.67) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL4185479 1.00 ALDH1A1 (0.67) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL4194434 1.00 ALDH1A1 (0.67) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL781888 1.00 ALDH1A1 (0.67) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL4197066 1.00 ALDH1A1 (0.67) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL234121 1.00 ALDH1A1 (0.67) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL233014 1.00 ALDH1A1 (0.67) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL11145051 1.00 ALDH1A1 (0.67) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL780028 1.00 ALDH1A1 (0.67) ALDH1A1PRSS1PRSS2PRSS3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105340964-A Bactericide used for preventing and treating downy mildew of cucumber and preparation method thereof PINGDINGSHAN YULONGSHAN ECOLOGICAL AGRICULTURAL SCIENCE & TECHNOLOGY DEV CO LTD 2016-02-24 CN disclosed
EP-1452865-B1 COMPOSITION FOR BLOOD SERUM OR PLASMA SEPARATION AND VESSEL FOR BLOOD EXAMINATION CONTAINING THE SAME SEKISUI CHEMICAL CO LTD (JP) 2009-02-18 EP disclosed
US-7090970-B2 Composition for blood serum or plasma separation and vessel for blood examination containing the same SEKISUI CHEMICAL CO., LTD. (JP) 2006-08-15 US disclosed
EP-1452865-A1 COMPOSITION FOR BLOOD SERUM OR PLASMA SEPARATION AND VESSEL FOR BLOOD EXAMINATION CONTAINING THE SAME SEKISUI CHEMICAL CO., LTD. (JP) 2004-09-01 EP disclosed
US-20040129631-A1 Composition for blood serum or plasma separation and vessel for blood examination containing the same SEKISUI CHEMICAL CO., LTD. (JP) 2004-07-08 US disclosed
CN-1233273-A Polyol ester compositions with unconverted hydroxyl groups for use as lubricant base stocks EXXON CHEMICAL PATENTS INC (US) 1999-10-27 CN disclosed