SCHEMBL8658984

SCHEMBL8658984

CCC=CCC=CCC1CCC(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
PPARG P37231 2/20 0.33
CYP2D6 P10635 1/20 0.32
ALPG P10696 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
FFAR1 O14842 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CYP19A1 P11511 1/20 0.30
RXRA P19793 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
SCHEMBL8660973 1.00 CYP1A2 (0.46) CYP1A2CA1CA9AKR1C4AKR1C3
SCHEMBL31509049 0.95 CYP1A2 (0.50) CYP1A2CA1CA9AKR1C4AKR1C3
SCHEMBL30886698 0.95 CYP1A2 (0.50) CYP1A2CA1CA9AKR1C4AKR1C3
SCHEMBL29475331 0.85 CYP1A2 (0.40) CYP1A2CA1CA9AKR1C4AKR1C3
SCHEMBL919914 0.85 CYP1A2 (0.40) CYP1A2CA1CA9AKR1C4AKR1C3
SCHEMBL9389681 0.85 CYP1A2 (0.40) CYP1A2CA1CA9AKR1C4AKR1C3
SCHEMBL919912 0.85 CYP1A2 (0.40) CYP1A2CA1CA9AKR1C4AKR1C3
SCHEMBL2939421 0.85 CYP1A2 (0.40) CYP1A2CA1CA9AKR1C4AKR1C3
SCHEMBL9389685 0.85 CYP1A2 (0.40) CYP1A2CA1CA9AKR1C4AKR1C3
SCHEMBL27968096 0.81 CYP1A2 (0.51) CYP1A2CA1CA9PPARGALDH1A1

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
US-10801033-B2 Recombinant polynucleotide involved in lactone synthesis and process for synthesis of lactones thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-10-13 US disclosed
US-20190153459-A1 RECOMBINANT POLYNUCLEOTIDE INVOLVED IN LACTONE SYNTHESIS AND PROCESS FOR SYNTHESIS OF LACTONES THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-05-23 US disclosed
EP-3423474-A2 A RECOMBINANT POLYNUCLEOTIDE INVOLVED IN LACTONE SYNTHESIS AND PROCESS FOR SYNTHESIS OF LACTONES THEREOF Council of Scientific and Industrial Research (IN) 2019-01-09 EP disclosed
WO-2017175241-A2 A RECOMBINANT POLYNUCLEOTIDE INVOLVED IN LACTONE SYNTHESIS AND PROCESS FOR SYNTHESIS OF LACTONES THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-10-12 WO disclosed
EP-0578388-B1 Fermentation process for preparing 10-hydroxy-C18-carboxylic acid and gamma-dodecalactone derivatives INT FLAVORS & FRAGRANCES INC (US) 1998-11-04 EP disclosed