SCHEMBL7779127

SCHEMBL7779127

CCCCCCC(CCC)OC(=O)c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 3/20 0.61
ESR1 P03372 3/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
NR1H2 P55055 1/20 0.53
RNASEL Q05823 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B3 P37058 7/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ALDH1A1 P00352 2/20 0.47
CHRM1 P11229 1/20 0.47

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
SCHEMBL1963321 0.97 PNLIP (0.63) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL17907451 0.97 PNLIP (0.63) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL17907453 0.97 PNLIP (0.63) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL2127419 0.97 PNLIP (0.63) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL22684927 0.97 PNLIP (0.63) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL22684922 0.97 PNLIP (0.63) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL30354036 0.95 PNLIP (0.62) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL30354022 0.94 ESR1 (0.55) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL28723456 0.94 PNLIP (0.53) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL29137086 0.93 PNLIP (0.55) PNLIPESR1TSHRLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130981-A1 PROCESS FOR INTRODUCTION OF ADDITIVES ASSOCIATED WITH A SPECIAL TREATMENT FOR BEVERAGE PACKAGING IN PLASTIC CONTAINERS Rhodia-Ster S.A. (BR) 2001-09-12 EP disclosed
WO-2000030478-A1 COMPOSITION CONTAINING ADDITIVES FOR BEVERAGES RHODIA-STER S.A. (BR) 2000-06-02 WO disclosed
WO-2000030479-A1 PROCESS FOR INTRODUCTION OF ADDITIVES ASSOCIATED WITH A SPECIAL TREATMENT FOR BEVERAGE PACKAGING IN PLASTIC CONTAINERS RHODIA-STER S.A. (BR) 2000-06-02 WO disclosed