SCHEMBL5699404

SCHEMBL5699404

CCCCCC(C)OC(=O)OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
ALDH1A1 P00352 1/20 0.48
ACE2 Q9BYF1 1/20 0.42
GPR84 Q9NQS5 4/20 0.41
CA1 P00915 2/20 0.41
FFAR1 O14842 1/20 0.41
NAAA Q02083 1/20 0.40
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40

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
SCHEMBL5493072 0.98 FAAH (0.53) FAAHCNR1CNR2ALDH1A1ACE2
SCHEMBL5484580 0.86 CHRM1 (0.38) FAAHCNR1CNR2ALDH1A1
SCHEMBL5873220 0.86 FAAH (0.58) FAAHCNR1CNR2ALDH1A1ACE2
SCHEMBL29279616 0.84 FAAH (0.61) FAAHCNR1CNR2ALDH1A1ACE2
SCHEMBL654707 0.84 FAAH (0.61) FAAHCNR1CNR2ALDH1A1ACE2
SCHEMBL19031909 0.84 FAAH (0.61) FAAHCNR1CNR2ALDH1A1ACE2
SCHEMBL19031896 0.84 FAAH (0.61) FAAHCNR1CNR2ALDH1A1ACE2
SCHEMBL1838405 0.84 FAAH (0.56) FAAHCNR1CNR2ALDH1A1ACE2
SCHEMBL14244738 0.84 FAAH (0.47) FAAHCNR1CNR2ALDH1A1CA1
SCHEMBL7645233 0.84 FAAH (0.61) FAAHCNR1CNR2ALDH1A1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086984-B1 Compounds for mass colouration of polymers CIBA SC HOLDING AG (CH) 2006-08-02 EP disclosed
US-6762224-B2 SOLUBLE PIGMENT PRECURSORS HAVING HIGHER THERMAL STABILITY CIBA SPECIALTY CHEMICALS CORPORATION 2004-07-13 US disclosed
US-20020065401-A1 Novel compounds for mass colouration of high temperature polymers FEILER LEONHARD (DE) 2002-05-30 US disclosed
US-6355783-B1 ESTERIFIED DERIVATIVES OF QUINACRIDONE, ANTHRAQUINONE, PERYLENE, INDIGO, QUINOPHTHALONE, INDANTHRONE, ISOINDOLE, DIOXAZINE, AZO, PHTHALOCYANINE OR DIKETOPYRROLOPYRROLE DYES CIBA SPECIALTY CHEMICALS CORPORATION 2002-03-12 US disclosed
EP-1086984-A2 Compounds for mass colouration of polymers Ciba SC Holding AG (CH) 2001-03-28 EP disclosed