SCHEMBL183036

SCHEMBL183036

CCCCC(CC)CC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
TSHR P16473 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
CA2 P00918 5/20 0.46
ALDH1A1 P00352 6/20 0.45
CA1 P00915 1/20 0.43
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL27868181 0.93 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMCA2
SCHEMBL28157248 0.92 TDP1 (0.44) CYP3A4TSHRTDP1ATMCA2
SCHEMBL28236018 0.89 TDP1 (0.37) CYP3A4TSHRTDP1ATMCA2
SCHEMBL28462307 0.85 LMNA (0.45) CYP3A4TSHRTDP1ATMCA2
SCHEMBL27792247 0.85 CA2 (0.56) CYP3A4TSHRTDP1ATMCA2
SCHEMBL1010641 0.84 ALDH1A1 (0.42) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL2894772 0.84 CA2 (0.50) CYP3A4TSHRTDP1ATMCA2
SCHEMBL28973531 0.84 CA2 (0.50) CYP3A4TSHRTDP1ATMCA2
SCHEMBL13889051 0.84 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMCA2
SCHEMBL27825849 0.82 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101786949-A Method for preparing 4-ethyl octanoic acid through microwave heating UNIV BEIJING TECH & BUSINESS 2010-07-28 CN claimed
EP-1465962-B1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIV FLORIDA (US) 2012-01-04 EP disclosed
CN-102040485-A Diether compound for preparing olefin polymerization catalyst CHINA PETROLEUM & CHEMICAL 2011-05-04 CN disclosed
CN-101786949-A Method for preparing 4-ethyl octanoic acid through microwave heating UNIV BEIJING TECH & BUSINESS 2010-07-28 CN disclosed
CN-100540627-C Electrochromic polymers and polymer electrochromic devices UNIV FLORIDA (US) 2009-09-16 CN disclosed
US-20060003231-A1 Electrolytic solution SASADA SHINYA 2006-01-05 US disclosed
EP-1544877-A1 ELECTROLYTIC SOLUTION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-22 EP disclosed
CN-1615352-A Electrochromic polymers and polymer electrochromic devices UNIV FLORIDA (US) 2005-05-11 CN disclosed
EP-1465962-A1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIVERSITY OF FLORIDA (US) 2004-10-13 EP disclosed
US-6791738-B2 CONTROLLING COLOR, BRIGHTNESS AND ENVIRONMENTAL STABILITY; POLY- 3,4-ALKYLENEDIOXYHETEROCYCLES UNIVERSITY OF FLORIDA 2004-09-14 US disclosed
US-20030174377-A1 Electrochromic polymers and polymer electrochromic devices UNIVERSITY OF FLORIDA 2003-09-18 US disclosed
WO-2003046106-A1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIVERSITY OF FLORIDA (US) 2003-06-05 WO disclosed
EP-0134490-B1 SELF-CROSS-LINKABLE COATING, IMPREGNATION AND ADHESIVE AGENT BASF Aktiengesellschaft (DE) 1988-01-20 EP disclosed
EP-0134490-A2 Self-cross-linkable coating, impregnation and adhesive agent BASF Aktiengesellschaft (DE) 1985-03-20 EP disclosed