SCHEMBL6905024

SCHEMBL6905024

CC(C)(CC(O)CCCO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.53
ACACA Q13085 1/20 0.53
PTPN1 P18031 1/20 0.38
GPR84 Q9NQS5 4/20 0.33
PTGS1 P23219 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACLY P53396 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
FFAR1 O14842 1/20 0.32
THRB P10828 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
PPARA Q07869 1/20 0.30
CAMK2A Q9UQM7 1/20 0.30

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
SCHEMBL27677760 0.94 ACACB (0.56) ACACBACACAPTPN1GPR84PTGS1
SCHEMBL28322374 0.88 ACACB (0.47) ACACBACACAACLYTHRB
SCHEMBL28728386 0.81 ACACB (0.59) ACACBACACAGPR84FFAR4FFAR1
SCHEMBL7698392 0.81 ACACB (0.47) ACACBACACAACLYTHRB
SCHEMBL8442982 0.76 ACACB (0.33) ACACBACACAPTPN1PTGS1KCNH2
SCHEMBL27866826 0.74 ACACB (0.40) ACACBACACAPTPN1GPR84PTGS1
SCHEMBL28964266 0.74 ACACB (0.45) ACACBACACAACLY
SCHEMBL3748635 0.74 ACACB (0.88) ACACBACACAGPR84ACLYFFAR4
SCHEMBL12094483 0.74 ACACB (0.88) ACACBACACAGPR84ACLYFFAR4
Acetic Acid SCHEMBL16684802 0.74 THRB (0.48) ACACBACACAPTPN1GPR84FFAR4

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
US-6777508-B1 HIGHLY ACTIVE AND HIGHLY STEREOSPECIFIC CATALYSTS FOR THE POLYMERIZATION OF PROPYLENE AND HIGHER OLEFINS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-08-17 US disclosed
US-6194342-B1 COMPRISING REACTION PRODUCT OF ALUMINUM ALKYL COMPOUND, A SILICON COMPOUND CONTAINING ONE SI--OR OR SI--OCOR OR SI--NR2 BOND, R BEING HYDROCARBYL RADICAL, A SOLID COMPRISING AS SUPPORT A MAGNESIUM DIHALIDE AND A TITANIUM HALIDE MONTELL TECHNOLOGY COMPANY BV (NL) 2001-02-27 US disclosed
EP-0045977-B2 Components and catalysts for the polymerization of olefins MONTEDISON SPA (IT) 1995-03-15 EP disclosed
EP-0045977-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montedison S.p.A. (IT) 1987-01-07 EP disclosed
EP-0179303-A1 Catalysts for the polymerization of olefins Himont Incorporated (US) 1986-04-30 EP disclosed
EP-0045977-A2 Components and catalysts for the polymerization of olefins Montedison S.p.A. (IT) 1982-02-17 EP disclosed