SCHEMBL4620336

SCHEMBL4620336

CCC(C)C(=O)OCCCCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
EPHX1 P07099 1/20 0.32
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL9768854 0.82 NAAA (0.32) NAAACYP4F2CYP4A11ALDH1A1EPHX1
SCHEMBL29263277 0.81 NAAA (0.35) NAAACYP4F2CYP4A11ALDH1A1EPHX1
SCHEMBL26037966 0.81 MEN1 (0.35) NAAACA1CA2
SCHEMBL805653 0.80 NAAA (0.52) NAAAALDH1A1CA1CA2EPHX1
SCHEMBL2418446 0.80 NAAA (0.52) NAAAALDH1A1CA1CA2EPHX1
SCHEMBL17461875 0.79 HCAR2 (0.31) NAAACYP4F2CYP4A11
SCHEMBL25667382 0.79 CA1 (0.33) NAAACYP4F2CYP4A11ALDH1A1CA1
SCHEMBL15043147 0.79 CYP4F2 (0.34) NAAACYP4F2CYP4A11ALDH1A1CA1
SCHEMBL1626354 0.79 NAAA (0.55) NAAAALDH1A1EPHX1TSHRACHE
SCHEMBL12757059 0.79 NAAA (0.55) NAAAALDH1A1EPHX1TSHRACHE

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
EP-1896550-A1 STABILIZED ELECTROCHROMIC MEDIA Ciba Specialty Chemicals Holding Inc. (CH) 2008-03-12 EP disclosed
WO-2007003508-A1 STABILIZED ELECTROCHROMIC MEDIA CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-11 WO disclosed